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

Systemtic Name: 2-[3-cyano-4-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)pyridin-2-yl]sulfanyl-N-(3-nitrophenyl)propanamide Openeye Name: 2-[[3-cyano-4-(3,4-dimethoxyphenyl)-6-(p-tolyl)-2-pyridyl]sulfanyl]-N-(3-nitrophenyl)propanamide CAS Name: 2-[[3-cyano-4-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)-2-pyridinyl]thio]-N-(3-nitrophenyl)propanamide IUPAC Name: 2-[3-cyano-4-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)pyridin-2-yl]sulfanyl-N-(3-nitrophenyl)propanamide Traditional Name: 2-[[3-cyano-4-(3,4-dimethoxyphenyl)-6-(p-tolyl)-2-pyridyl]thio]-N-(3-nitrophenyl)propionamide Formula: C30H26N4O5S MolecularWeight: 554.61624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC(=C(C=C3)OC)OC)C#N)SC(C)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC(=C(C=C3)OC)OC)C#N)SC(C)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C30H26N4O5S/c1-18-8-10-20(11-9-18)26-16-24(21-12-13-27(38-3)28(14-21)39-4)25(17-31)30(33-26)40-19(2)29(35)32-22-6-5-7-23(15-22)34(36)37/h5-16,19H,1-4H3,(H,32,35)