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

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-methyl-3-nitro-phenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(2-methyl-3-nitrophenyl)-2-[(4,5,6-trimethyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(2-methyl-3-nitrophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(2-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(N=C(N=C1C)SCC(=O)NC2=C(C(=CC=C2)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=C(N=C(N=C1C)SCC(=O)NC2=C(C(=CC=C2)[N+](=O)[O-])C)C

InChI

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