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

Systemtic Name: 3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-[(4-chlorophenyl)methyl]benzamide Openeye Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-[(4-chlorophenyl)methyl]benzamide CAS Name: 3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N-[(4-chlorophenyl)methyl]benzamide IUPAC Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-[(4-chlorophenyl)methyl]benzamide Traditional Name: 3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N-(4-chlorobenzyl)benzamide Formula: C17H16ClN5OS MolecularWeight: 373.85984

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=NNC(=N2)N)C(=O)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NNC(=N2)N)C(=O)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H16ClN5OS/c18-14-6-4-11(5-7-14)9-20-15(24)13-3-1-2-12(8-13)10-25-17-21-16(19)22-23-17/h1-8H,9-10H2,(H,20,24)(H3,19,21,22,23)