N-(2-cyanoethyl)-N-phenyl-2-quinolin-2-ylsulfanyl-propanamide

Systemtic Name: N-(2-cyanoethyl)-N-phenyl-2-quinolin-2-ylsulfanyl-propanamide Openeye Name: N-(2-cyanoethyl)-N-phenyl-2-(2-quinolylsulfanyl)propanamide CAS Name: N-(2-cyanoethyl)-N-phenyl-2-(2-quinolinylthio)propanamide IUPAC Name: N-(2-cyanoethyl)-N-phenyl-2-quinolin-2-ylsulfanylpropanamide Traditional Name: N-(2-cyanoethyl)-N-phenyl-2-(2-quinolylthio)propionamide Formula: C21H19N3OS MolecularWeight: 361.46006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H19N3OS/c1-16(26-20-13-12-17-8-5-6-11-19(17)23-20)21(25)24(15-7-14-22)18-9-3-2-4-10-18/h2-6,8-13,16H,7,15H2,1H3