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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyanoethyl)-N-phenyl-ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyanoethyl)-N-phenyl-acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(2-cyanoethyl)-N-phenylacetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyanoethyl)-N-phenylacetamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(2-cyanoethyl)-N-phenyl-acetamide Formula: C13H14N6OS MolecularWeight: 302.35486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N6OS/c14-7-4-8-19(10-5-2-1-3-6-10)11(20)9-21-13-16-12(15)17-18-13/h1-3,5-6H,4,8-9H2,(H3,15,16,17,18)