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

Systemtic Name: 3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-[4-(cyanomethyl)phenyl]benzamide Openeye Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-[4-(cyanomethyl)phenyl]benzamide CAS Name: 3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N-[4-(cyanomethyl)phenyl]benzamide IUPAC Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-[4-(cyanomethyl)phenyl]benzamide Traditional Name: 3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N-[4-(cyanomethyl)phenyl]benzamide Formula: C18H16N6OS MolecularWeight: 364.42424

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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)CC#N

Isomeric SMILES

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

InChI

InChI=1S/C18H16N6OS/c19-9-8-12-4-6-15(7-5-12)21-16(25)14-3-1-2-13(10-14)11-26-18-22-17(20)23-24-18/h1-7,10H,8,11H2,(H,21,25)(H3,20,22,23,24)