2-[3-cyano-4-(3-methoxy-4-phenylmethoxy-phenyl)-6-phenyl-pyridin-2-yl]sulfanyl-N-(4-methyl-3-nitro-phenyl)propanamide

Systemtic Name: 2-[3-cyano-4-(3-methoxy-4-phenylmethoxy-phenyl)-6-phenyl-pyridin-2-yl]sulfanyl-N-(4-methyl-3-nitro-phenyl)propanamide Openeye Name: 2-[[4-(4-benzyloxy-3-methoxy-phenyl)-3-cyano-6-phenyl-2-pyridyl]sulfanyl]-N-(4-methyl-3-nitro-phenyl)propanamide CAS Name: 2-[[3-cyano-4-(3-methoxy-4-phenylmethoxyphenyl)-6-phenyl-2-pyridinyl]thio]-N-(4-methyl-3-nitrophenyl)propanamide IUPAC Name: 2-[3-cyano-4-(3-methoxy-4-phenylmethoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl-N-(4-methyl-3-nitrophenyl)propanamide Traditional Name: 2-[[4-(4-benzoxy-3-methoxy-phenyl)-3-cyano-6-phenyl-2-pyridyl]thio]-N-(4-methyl-3-nitro-phenyl)propionamide Formula: C36H30N4O5S MolecularWeight: 630.7122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC(=C(C=C4)OCC5=CC=CC=C5)OC)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC(=C(C=C4)OCC5=CC=CC=C5)OC)C#N)[N+](=O)[O-]

InChI

InChI=1S/C36H30N4O5S/c1-23-14-16-28(19-32(23)40(42)43)38-35(41)24(2)46-36-30(21-37)29(20-31(39-36)26-12-8-5-9-13-26)27-15-17-33(34(18-27)44-3)45-22-25-10-6-4-7-11-25/h4-20,24H,22H2,1-3H3,(H,38,41)