2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]ethanamide

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]ethanamide Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]acetamide CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]acetamide IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]acetamide Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]acetamide Formula: C22H22N4O5S MolecularWeight: 454.49888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CSC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CSC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C22H22N4O5S/c1-4-30-18-5-7-19(8-6-18)31-20-11-16(10-17(12-20)26(28)29)25-21(27)13-32-22-23-14(2)9-15(3)24-22/h5-12H,4,13H2,1-3H3,(H,25,27)