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

Systemtic Name: 2-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanyl-N-(4-methoxy-2-nitro-phenyl)ethanamide Openeye Name: 2-[[3-cyano-6-(p-tolyl)-2-pyridyl]sulfanyl]-N-(4-methoxy-2-nitro-phenyl)acetamide CAS Name: 2-[[3-cyano-6-(4-methylphenyl)-2-pyridinyl]thio]-N-(4-methoxy-2-nitrophenyl)acetamide IUPAC Name: 2-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanyl-N-(4-methoxy-2-nitrophenyl)acetamide Traditional Name: 2-[[3-cyano-6-(p-tolyl)-2-pyridyl]thio]-N-(4-methoxy-2-nitro-phenyl)acetamide Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCC(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCC(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O4S/c1-14-3-5-15(6-4-14)18-9-7-16(12-23)22(25-18)31-13-21(27)24-19-10-8-17(30-2)11-20(19)26(28)29/h3-11H,13H2,1-2H3,(H,24,27)