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

Systemtic Name: N-(2-cyanoethyl)-2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide Openeye Name: N-(2-cyanoethyl)-2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide CAS Name: N-(2-cyanoethyl)-2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]-N-phenylpropanamide IUPAC Name: N-(2-cyanoethyl)-2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide Traditional Name: N-(2-cyanoethyl)-2-[[5-(2-cyclopentylethyl)-1H-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:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NNC(=N2)CCC3CCCC3

Isomeric SMILES

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NNC(=N2)CCC3CCCC3

InChI

InChI=1S/C21H27N5OS/c1-16(20(27)26(15-7-14-22)18-10-3-2-4-11-18)28-21-23-19(24-25-21)13-12-17-8-5-6-9-17/h2-4,10-11,16-17H,5-9,12-13,15H2,1H3,(H,23,24,25)