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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > azole > triazoles > 3-[3-[(4-chlorophenyl)methylthio]-5-pyridin-4-yl-1,2,4-triazol-4-yl]-n,n-dimethyl-1-propanamine
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > azole > triazoles > 3-[3-[(4-chlorophenyl)methylthio]-5-pyridin-4-yl-1,2,4-triazol-4-yl]-n,n-dimethyl-1-propanamine
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > heteroarene > monocyclic heteroarene > azole > triazoles > 3-[3-[(4-chlorophenyl)methylthio]-5-pyridin-4-yl-1,2,4-triazol-4-yl]-n,n-dimethyl-1-propanamine
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > heteroarene > monocyclic heteroarene > azole > triazoles > 3-[3-[(4-chlorophenyl)methylthio]-5-pyridin-4-yl-1,2,4-triazol-4-yl]-n,n-dimethyl-1-propanamine
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > heteroarene > monocyclic heteroarene > azole > triazoles > 3-[3-[(4-chlorophenyl)methylthio]-5-pyridin-4-yl-1,2,4-triazol-4-yl]-n,n-dimethyl-1-propanamine
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > heteroarene > monocyclic heteroarene > azole > triazoles > 3-[3-[(4-chlorophenyl)methylthio]-5-pyridin-4-yl-1,2,4-triazol-4-yl]-n,n-dimethyl-1-propanamine

Preferred term

3-[3-[(4-chlorophenyl)methylthio]-5-pyridin-4-yl-1,2,4-triazol-4-yl]-n,n-dimethyl-1-propanamine  

Type

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

Broader concept

charge

  • 0

formula

  • C19H22ClN5S

inchi

  • InChI=1S/C19H22ClN5S/c1-24(2)12-3-13-25-18(16-8-10-21-11-9-16)22-23-19(25)26-14-15-4-6-17(20)7-5-15/h4-11H,3,12-14H2,1-2H3

inchikey

  • GURJGBCZYNRYAO-UHFFFAOYSA-N

mass

  • 387.931

monoisotopicmass

  • 387.12844

smiles

  • CN(C)CCCN1C(=NN=C1SCC2=CC=C(C=C2)Cl)C3=CC=NC=C3

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:104227

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