N-(5-chloranyl-2-methyl-phenyl)-3-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-3-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanyl-propanamide Openeye Name: N-(5-chloro-2-methyl-phenyl)-3-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanyl]propanamide CAS Name: N-(5-chloro-2-methylphenyl)-3-[(3-cyano-4,6-diphenyl-2-pyridinyl)thio]propanamide IUPAC Name: N-(5-chloro-2-methylphenyl)-3-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanylpropanamide Traditional Name: N-(5-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=C(C=C1)Cl)NC(=O)CCSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)CCSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C#N

InChI

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