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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > azole > diazole > pyrazoles > 3-(1,3-benzothiazol-2-yl)-4-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-3-butenoic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > azole > diazole > pyrazoles > 3-(1,3-benzothiazol-2-yl)-4-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-3-butenoic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > azole > diazole > pyrazoles > 3-(1,3-benzothiazol-2-yl)-4-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-3-butenoic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > azole > diazole > pyrazoles > 3-(1,3-benzothiazol-2-yl)-4-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-3-butenoic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > heteroarene > monocyclic heteroarene > azole > diazole > pyrazoles > 3-(1,3-benzothiazol-2-yl)-4-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-3-butenoic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic aromatic compound > heteroarene > monocyclic heteroarene > azole > diazole > pyrazoles > 3-(1,3-benzothiazol-2-yl)-4-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-3-butenoic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > heteroarene > monocyclic heteroarene > azole > diazole > pyrazoles > 3-(1,3-benzothiazol-2-yl)-4-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-3-butenoic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > heteroarene > monocyclic heteroarene > azole > diazole > pyrazoles > 3-(1,3-benzothiazol-2-yl)-4-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-3-butenoic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > heteroarene > monocyclic heteroarene > azole > diazole > pyrazoles > 3-(1,3-benzothiazol-2-yl)-4-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-3-butenoic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > heteroarene > monocyclic heteroarene > azole > diazole > pyrazoles > 3-(1,3-benzothiazol-2-yl)-4-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-3-butenoic acid

Preferred term

3-(1,3-benzothiazol-2-yl)-4-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-3-butenoic acid  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C21H16ClN3O2S

inchi

  • InChI=1S/C21H16ClN3O2S/c1-13-16(20(22)25(24-13)15-7-3-2-4-8-15)11-14(12-19(26)27)21-23-17-9-5-6-10-18(17)28-21/h2-11H,12H2,1H3,(H,26,27)

inchikey

  • ZVDIXTJKCNITLU-UHFFFAOYSA-N

mass

  • 409.890

monoisotopicmass

  • 409.06518

smiles

  • CC1=NN(C(=C1C=C(CC(=O)O)C2=NC3=CC=CC=C3S2)Cl)C4=CC=CC=C4

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:112306

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