N-(2-chloranyl-5-nitro-phenyl)-2-(4-methylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-2-(4-methylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-2-(4-methylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(2-chloro-5-nitrophenyl)-2-[(4-methyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-2-[(4-methylpyrimidin-2-yl)thio]acetamide Formula: C13H11ClN4O3S MolecularWeight: 338.76944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=NC(=NC=C1)SCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H11ClN4O3S/c1-8-4-5-15-13(16-8)22-7-12(19)17-11-6-9(18(20)21)2-3-10(11)14/h2-6H,7H2,1H3,(H,17,19)