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

Systemtic Name: N-(cyanomethyl)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-ethanamide Openeye Name: N-(cyanomethyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-acetamide CAS Name: N-(cyanomethyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]-N-phenylacetamide IUPAC Name: N-(cyanomethyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide Traditional Name: N-(cyanomethyl)-2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]-N-phenyl-acetamide Formula: C20H19N5O2S MolecularWeight: 393.46216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC(=O)N(CC#N)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC(=O)N(CC#N)C3=CC=CC=C3

InChI

InChI=1S/C20H19N5O2S/c21-12-14-24(17-9-5-2-6-10-17)18(26)15-28-20-23-22-19(27)25(20)13-11-16-7-3-1-4-8-16/h1-10H,11,13-15H2,(H,22,27)