2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-ethoxy-2-nitro-phenyl)ethanamide

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-ethoxy-2-nitro-phenyl)ethanamide Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-ethoxy-2-nitro-phenyl)acetamide CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-(4-ethoxy-2-nitrophenyl)acetamide IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-ethoxy-2-nitrophenyl)acetamide Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-N-(4-ethoxy-2-nitro-phenyl)acetamide Formula: C16H18N4O4S MolecularWeight: 362.40352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O4S/c1-4-24-12-5-6-13(14(8-12)20(22)23)19-15(21)9-25-16-17-10(2)7-11(3)18-16/h5-8H,4,9H2,1-3H3,(H,19,21)