N-(4-chlorophenyl)-3-(pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine

Systemtic Name: N-(4-chlorophenyl)-3-(pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine Openeye Name: N-(4-chlorophenyl)-3-(2-pyridylmethylsulfanyl)-1H-1,2,4-triazol-5-amine CAS Name: N-(4-chlorophenyl)-3-(2-pyridinylmethylthio)-1H-1,2,4-triazol-5-amine IUPAC Name: N-(4-chlorophenyl)-3-(pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine Traditional Name: (4-chlorophenyl)-[3-(2-pyridylmethylthio)-1H-1,2,4-triazol-5-yl]amine Formula: C14H12ClN5S MolecularWeight: 317.79658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CSC2=NNC(=N2)NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=NC(=C1)CSC2=NNC(=N2)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C14H12ClN5S/c15-10-4-6-11(7-5-10)17-13-18-14(20-19-13)21-9-12-3-1-2-8-16-12/h1-8H,9H2,(H2,17,18,19,20)