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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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