3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(4-chlorophenyl)benzamide

Systemtic Name: 3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(4-chlorophenyl)benzamide Openeye Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(4-chlorophenyl)benzamide CAS Name: 3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N-(4-chlorophenyl)benzamide IUPAC Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(4-chlorophenyl)benzamide Traditional Name: 3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N-(4-chlorophenyl)benzamide Formula: C16H14ClN5OS MolecularWeight: 359.83326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN5OS/c17-12-4-6-13(7-5-12)19-14(23)11-3-1-2-10(8-11)9-24-16-20-15(18)21-22-16/h1-8H,9H2,(H,19,23)(H3,18,20,21,22)