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

Systemtic Name: N-(2-cyanoethyl)-N-phenyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(2-cyanoethyl)-N-phenyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(2-cyanoethyl)-N-phenyl-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(2-cyanoethyl)-N-phenyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(2-cyanoethyl)-N-phenyl-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C20H19N5OS MolecularWeight: 377.46276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NN=CN2C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NN=CN2C3=CC=CC=C3

InChI

InChI=1S/C20H19N5OS/c1-16(19(26)24(14-8-13-21)17-9-4-2-5-10-17)27-20-23-22-15-25(20)18-11-6-3-7-12-18/h2-7,9-12,15-16H,8,14H2,1H3