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

Systemtic Name: N-(4-chlorophenyl)-3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-amine Openeye Name: 3-benzylsulfanyl-N-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine CAS Name: N-(4-chlorophenyl)-3-(phenylmethylthio)-1H-1,2,4-triazol-5-amine IUPAC Name: 3-benzylsulfanyl-N-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine Traditional Name: [3-(benzylthio)-1H-1,2,4-triazol-5-yl]-(4-chlorophenyl)amine Formula: C15H13ClN4S MolecularWeight: 316.80852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13ClN4S/c16-12-6-8-13(9-7-12)17-14-18-15(20-19-14)21-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,17,18,19,20)