N-(4-chloranyl-3-nitro-phenyl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-chloranyl-3-nitro-phenyl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(4-chloro-3-nitro-phenyl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(4-chloro-3-nitrophenyl)-2-[(2,6-dimethyl-4-pyrimidinyl)thio]acetamide IUPAC Name: N-(4-chloro-3-nitrophenyl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(4-chloro-3-nitro-phenyl)-2-[(2,6-dimethylpyrimidin-4-yl)thio]acetamide Formula: C14H13ClN4O3S MolecularWeight: 352.79602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C)SCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)C)SCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H13ClN4O3S/c1-8-5-14(17-9(2)16-8)23-7-13(20)18-10-3-4-11(15)12(6-10)19(21)22/h3-6H,7H2,1-2H3,(H,18,20)