N-(4-methyl-3-nitro-phenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-methyl-3-nitro-phenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-methyl-3-nitro-phenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(4-methyl-3-nitrophenyl)-2-[(4,5,6-trimethyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(4-methyl-3-nitrophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(4-methyl-3-nitro-phenyl)-2-[(4,5,6-trimethylpyrimidin-2-yl)thio]acetamide Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=C(C(=N2)C)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=C(C(=N2)C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O3S/c1-9-5-6-13(7-14(9)20(22)23)19-15(21)8-24-16-17-11(3)10(2)12(4)18-16/h5-7H,8H2,1-4H3,(H,19,21)