(2R)-N-(2-cyanoethyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-propanamide

Systemtic Name: (2R)-N-(2-cyanoethyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-propanamide Openeye Name: (2R)-N-(2-cyanoethyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-propanamide CAS Name: (2R)-N-(2-cyanoethyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-phenylpropanamide IUPAC Name: (2R)-N-(2-cyanoethyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide Traditional Name: (2R)-N-(2-cyanoethyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-phenyl-propionamide Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NN=C(N2C)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NN=C(N2C)C3=CC=CC=C3

InChI

InChI=1S/C21H21N5OS/c1-16(20(27)26(15-9-14-22)18-12-7-4-8-13-18)28-21-24-23-19(25(21)2)17-10-5-3-6-11-17/h3-8,10-13,16H,9,15H2,1-2H3/t16-/m1/s1