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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > heteroarene > monocyclic heteroarene > azole > triazoles > 4-(4-chlorophenyl)-3-[2-(4-methylphenyl)cyclopropyl]-1h-1,2,4-triazole-5-thione
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > heteroarene > monocyclic heteroarene > azole > triazoles > 4-(4-chlorophenyl)-3-[2-(4-methylphenyl)cyclopropyl]-1h-1,2,4-triazole-5-thione
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > heteroarene > monocyclic heteroarene > azole > triazoles > 4-(4-chlorophenyl)-3-[2-(4-methylphenyl)cyclopropyl]-1h-1,2,4-triazole-5-thione
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > heteroarene > monocyclic heteroarene > azole > triazoles > 4-(4-chlorophenyl)-3-[2-(4-methylphenyl)cyclopropyl]-1h-1,2,4-triazole-5-thione

Preferred term

4-(4-chlorophenyl)-3-[2-(4-methylphenyl)cyclopropyl]-1h-1,2,4-triazole-5-thione  

Type

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

Broader concept

charge

  • 0

formula

  • C18H16ClN3S

inchi

  • InChI=1S/C18H16ClN3S/c1-11-2-4-12(5-3-11)15-10-16(15)17-20-21-18(23)22(17)14-8-6-13(19)7-9-14/h2-9,15-16H,10H2,1H3,(H,21,23)

inchikey

  • AINSTPYBZSXWHP-UHFFFAOYSA-N

mass

  • 341.859

monoisotopicmass

  • 341.07535

smiles

  • CC1=CC=C(C=C1)C2CC2C3=NNC(=S)N3C4=CC=C(C=C4)Cl

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:105975

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