(E)-3-(3,4-dimethoxyphenyl)-N-(3-nitro-5-pyridin-2-ylsulfanyl-phenyl)prop-2-enamide

Systemtic Name: (E)-3-(3,4-dimethoxyphenyl)-N-(3-nitro-5-pyridin-2-ylsulfanyl-phenyl)prop-2-enamide Openeye Name: (E)-3-(3,4-dimethoxyphenyl)-N-[3-nitro-5-(2-pyridylsulfanyl)phenyl]prop-2-enamide CAS Name: (E)-3-(3,4-dimethoxyphenyl)-N-[3-nitro-5-(2-pyridinylthio)phenyl]-2-propenamide IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)-N-(3-nitro-5-pyridin-2-ylsulfanylphenyl)prop-2-enamide Traditional Name: (E)-3-(3,4-dimethoxyphenyl)-N-[3-nitro-5-(2-pyridylthio)phenyl]acrylamide Formula: C22H19N3O5S MolecularWeight: 437.46836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC2=CC(=CC(=C2)SC3=CC=CC=N3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC(=CC(=C2)SC3=CC=CC=N3)[N+](=O)[O-])OC

InChI

InChI=1S/C22H19N3O5S/c1-29-19-8-6-15(11-20(19)30-2)7-9-21(26)24-16-12-17(25(27)28)14-18(13-16)31-22-5-3-4-10-23-22/h3-14H,1-2H3,(H,24,26)/b9-7+