N-(3-chloranyl-2-methyl-phenyl)-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide CAS Name: N-(3-chloro-2-methylphenyl)-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]propanamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]propionamide Formula: C20H20ClN3OS MolecularWeight: 385.9103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C(C)SC2=NC3=C(CCCC3)C=C2C#N

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C(C)SC2=NC3=C(CCCC3)C=C2C#N

InChI

InChI=1S/C20H20ClN3OS/c1-12-16(21)7-5-9-17(12)23-19(25)13(2)26-20-15(11-22)10-14-6-3-4-8-18(14)24-20/h5,7,9-10,13H,3-4,6,8H2,1-2H3,(H,23,25)