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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(cyanomethyl)phenyl]ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(cyanomethyl)phenyl]acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-[4-(cyanomethyl)phenyl]acetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(cyanomethyl)phenyl]acetamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-[4-(cyanomethyl)phenyl]acetamide Formula: C12H12N6OS MolecularWeight: 288.32828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)NC(=O)CSC2=NNC(=N2)N

Isomeric SMILES

C1=CC(=CC=C1CC#N)NC(=O)CSC2=NNC(=N2)N

InChI

InChI=1S/C12H12N6OS/c13-6-5-8-1-3-9(4-2-8)15-10(19)7-20-12-16-11(14)17-18-12/h1-4H,5,7H2,(H,15,19)(H3,14,16,17,18)