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

Systemtic Name: N-(2-cyanoethyl)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]-N-phenyl-acetamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O2S/c22-13-7-14-25(18-10-5-2-6-11-18)19(27)16-29-21-24-23-20(28)26(21)15-12-17-8-3-1-4-9-17/h1-6,8-11H,7,12,14-16H2,(H,23,28)