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

Systemtic Name: N-(2-bromanyl-4-nitro-phenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-bromo-4-nitro-phenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(2-bromo-4-nitrophenyl)-2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(2-bromo-4-nitrophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(2-bromo-4-nitro-phenyl)-2-[(4,6-dimethylpyrimidin-2-yl)thio]acetamide Formula: C14H13BrN4O3S MolecularWeight: 397.24702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13BrN4O3S/c1-8-5-9(2)17-14(16-8)23-7-13(20)18-12-4-3-10(19(21)22)6-11(12)15/h3-6H,7H2,1-2H3,(H,18,20)