N-(5-chloranyl-2-nitro-phenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(5-chloranyl-2-nitro-phenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(5-chloro-2-nitro-phenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(5-chloro-2-nitrophenyl)-2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(5-chloro-2-nitrophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(5-chloro-2-nitro-phenyl)-2-[(4,6-dimethylpyrimidin-2-yl)thio]acetamide Formula: C14H13ClN4O3S MolecularWeight: 352.79602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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