3-[3-cyano-4-(4-methylphenyl)-6-phenyl-pyridin-2-yl]sulfanyl-N-pyridin-3-yl-propanamide

Systemtic Name: 3-[3-cyano-4-(4-methylphenyl)-6-phenyl-pyridin-2-yl]sulfanyl-N-pyridin-3-yl-propanamide Openeye Name: 3-[[3-cyano-6-phenyl-4-(p-tolyl)-2-pyridyl]sulfanyl]-N-(3-pyridyl)propanamide CAS Name: 3-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]thio]-N-(3-pyridinyl)propanamide IUPAC Name: 3-[3-cyano-4-(4-methylphenyl)-6-phenylpyridin-2-yl]sulfanyl-N-pyridin-3-ylpropanamide Traditional Name: 3-[[3-cyano-6-phenyl-4-(p-tolyl)-2-pyridyl]thio]-N-(3-pyridyl)propionamide Formula: C27H22N4OS MolecularWeight: 450.55478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCCC(=O)NC3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCCC(=O)NC3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H22N4OS/c1-19-9-11-20(12-10-19)23-16-25(21-6-3-2-4-7-21)31-27(24(23)17-28)33-15-13-26(32)30-22-8-5-14-29-18-22/h2-12,14,16,18H,13,15H2,1H3,(H,30,32)