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

Systemtic Name: N-(2-cyanoethyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-propanamide Openeye Name: N-(2-cyanoethyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-propanamide CAS Name: N-(2-cyanoethyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-phenylpropanamide IUPAC Name: N-(2-cyanoethyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide Traditional Name: N-(2-cyanoethyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-phenyl-propionamide Formula: C21H27N5OS MolecularWeight: 397.53698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SC(C)C(=O)N(CCC#N)C3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SC(C)C(=O)N(CCC#N)C3=CC=CC=C3

InChI

InChI=1S/C21H27N5OS/c1-16(20(27)25(15-9-14-22)18-10-5-3-6-11-18)28-21-24-23-17(2)26(21)19-12-7-4-8-13-19/h3,5-6,10-11,16,19H,4,7-9,12-13,15H2,1-2H3