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

Systemtic Name: N-(2-cyanoethyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-phenyl-propanamide Openeye Name: N-(2-cyanoethyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-phenyl-propanamide CAS Name: N-(2-cyanoethyl)-2-[[1-(3,4-dimethylphenyl)-2-imidazolyl]thio]-N-phenylpropanamide IUPAC Name: N-(2-cyanoethyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-phenylpropanamide Traditional Name: N-(2-cyanoethyl)-2-[[1-(3,4-dimethylphenyl)imidazol-2-yl]thio]-N-phenyl-propionamide Formula: C23H24N4OS MolecularWeight: 404.52786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=CN=C2SC(C)C(=O)N(CCC#N)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=CN=C2SC(C)C(=O)N(CCC#N)C3=CC=CC=C3)C

InChI

InChI=1S/C23H24N4OS/c1-17-10-11-21(16-18(17)2)27-15-13-25-23(27)29-19(3)22(28)26(14-7-12-24)20-8-5-4-6-9-20/h4-6,8-11,13,15-16,19H,7,14H2,1-3H3