N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-naphthalen-2-ylsulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-naphthalen-2-ylsulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(2-naphthylsulfanyl)acetamide CAS Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(2-naphthalenylthio)acetamide IUPAC Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-naphthalen-2-ylsulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(2-naphthylthio)acetamide Formula: C23H22N2OS MolecularWeight: 374.49858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC#N)C(=O)CSC2=CC3=CC=CC=C3C=C2)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC#N)C(=O)CSC2=CC3=CC=CC=C3C=C2)C

InChI

InChI=1S/C23H22N2OS/c1-17-12-18(2)14-21(13-17)25(11-5-10-24)23(26)16-27-22-9-8-19-6-3-4-7-20(19)15-22/h3-4,6-9,12-15H,5,11,16H2,1-2H3