N-(3-chloranyl-2-methyl-phenyl)-3-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-3-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanyl-propanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-3-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanyl]propanamide CAS Name: N-(3-chloro-2-methylphenyl)-3-[(3-cyano-4,6-diphenyl-2-pyridinyl)thio]propanamide IUPAC Name: N-(3-chloro-2-methylphenyl)-3-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanylpropanamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-3-[(3-cyano-4,6-diphenyl-2-pyridyl)thio]propionamide Formula: C28H22ClN3OS MolecularWeight: 484.01178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CCSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CCSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C28H22ClN3OS/c1-19-24(29)13-8-14-25(19)31-27(33)15-16-34-28-23(18-30)22(20-9-4-2-5-10-20)17-26(32-28)21-11-6-3-7-12-21/h2-14,17H,15-16H2,1H3,(H,31,33)