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

Systemtic Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-quinolin-2-ylsulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(2-quinolylsulfanyl)acetamide CAS Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(2-quinolinylthio)acetamide IUPAC Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-quinolin-2-ylsulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(2-quinolylthio)acetamide Formula: C22H21N3OS MolecularWeight: 375.48664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC#N)C(=O)CSC2=NC3=CC=CC=C3C=C2)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC#N)C(=O)CSC2=NC3=CC=CC=C3C=C2)C

InChI

InChI=1S/C22H21N3OS/c1-16-12-17(2)14-19(13-16)25(11-5-10-23)22(26)15-27-21-9-8-18-6-3-4-7-20(18)24-21/h3-4,6-9,12-14H,5,11,15H2,1-2H3