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

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide CAS Name: N-(3-chloro-2-methylphenyl)-2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]propanamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]propionamide Formula: C21H22ClN3OS MolecularWeight: 399.93688

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(C(=N2)SC(C)C(=O)NC3=C(C(=CC=C3)Cl)C)C#N

Isomeric SMILES

CC1CCC2=C(C1)C=C(C(=N2)SC(C)C(=O)NC3=C(C(=CC=C3)Cl)C)C#N

InChI

InChI=1S/C21H22ClN3OS/c1-12-7-8-19-15(9-12)10-16(11-23)21(25-19)27-14(3)20(26)24-18-6-4-5-17(22)13(18)2/h4-6,10,12,14H,7-9H2,1-3H3,(H,24,26)