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

Systemtic Name: N-(2-cyanoethyl)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-propanamide Openeye Name: N-(2-cyanoethyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-propanamide CAS Name: N-(2-cyanoethyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]-N-phenylpropanamide IUPAC Name: N-(2-cyanoethyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide Traditional Name: N-(2-cyanoethyl)-2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]-N-phenyl-propionamide Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C22H23N5O2S/c1-17(20(28)26(15-8-14-23)19-11-6-3-7-12-19)30-22-25-24-21(29)27(22)16-13-18-9-4-2-5-10-18/h2-7,9-12,17H,8,13,15-16H2,1H3,(H,24,29)