N-[2,6-bis(chloranyl)-4-nitro-phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[2,6-bis(chloranyl)-4-nitro-phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2,6-dichloro-4-nitro-phenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(2,6-dichloro-4-nitrophenyl)-2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(2,6-dichloro-4-nitrophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(2,6-dichloro-4-nitro-phenyl)-2-[(4,6-dimethylpyrimidin-2-yl)thio]acetamide Formula: C14H12Cl2N4O3S MolecularWeight: 387.24108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C14H12Cl2N4O3S/c1-7-3-8(2)18-14(17-7)24-6-12(21)19-13-10(15)4-9(20(22)23)5-11(13)16/h3-5H,6H2,1-2H3,(H,19,21)