N-(2-bromanyl-4-nitro-phenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-bromanyl-4-nitro-phenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-bromo-4-nitro-phenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(2-bromo-4-nitrophenyl)-2-[(4,5,6-trimethyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(2-bromo-4-nitrophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(2-bromo-4-nitro-phenyl)-2-[(4,5,6-trimethylpyrimidin-2-yl)thio]acetamide Formula: C15H15BrN4O3S MolecularWeight: 411.2736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1C)SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)C

Isomeric SMILES

CC1=C(N=C(N=C1C)SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)C

InChI

InChI=1S/C15H15BrN4O3S/c1-8-9(2)17-15(18-10(8)3)24-7-14(21)19-13-5-4-11(20(22)23)6-12(13)16/h4-6H,7H2,1-3H3,(H,19,21)