N-[[6-(2,5-dimethylphenoxy)pyridin-3-yl]methyl]-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-[[6-(2,5-dimethylphenoxy)pyridin-3-yl]methyl]-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-[[6-(2,5-dimethylphenoxy)-3-pyridyl]methyl]-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-[[6-(2,5-dimethylphenoxy)pyridin-3-yl]methyl]-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-[[6-(2,5-dimethylphenoxy)-3-pyridyl]methyl]-2-[(4-nitrophenyl)thio]acetamide Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OC2=NC=C(C=C2)CNC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)OC2=NC=C(C=C2)CNC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O4S/c1-15-3-4-16(2)20(11-15)29-22-10-5-17(13-24-22)12-23-21(26)14-30-19-8-6-18(7-9-19)25(27)28/h3-11,13H,12,14H2,1-2H3,(H,23,26)