N-[4-(3-cyanopyridin-2-yl)oxy-2-methyl-phenyl]-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: N-[4-(3-cyanopyridin-2-yl)oxy-2-methyl-phenyl]-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-[4-[(3-cyano-2-pyridyl)oxy]-2-methyl-phenyl]-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-[4-(3-cyanopyridin-2-yl)oxy-2-methylphenyl]-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-[4-[(3-cyano-2-pyridyl)oxy]-2-methyl-phenyl]-2-[(4-nitrophenyl)thio]propionamide Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=C(C=CC=N2)C#N)NC(=O)C(C)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=C(C=CC=N2)C#N)NC(=O)C(C)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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