N-[2,4-bis(bromanyl)-6-nitro-phenyl]-2-(4-methyl-6-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[2,4-bis(bromanyl)-6-nitro-phenyl]-2-(4-methyl-6-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2,4-dibromo-6-nitro-phenyl)-2-(4-methyl-6-oxo-1-phenyl-pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(2,4-dibromo-6-nitrophenyl)-2-[(4-methyl-6-oxo-1-phenyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(2,4-dibromo-6-nitrophenyl)-2-(4-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(2,4-dibromo-6-nitro-phenyl)-2-[(6-keto-4-methyl-1-phenyl-pyrimidin-2-yl)thio]acetamide Formula: C19H14Br2N4O4S MolecularWeight: 554.21186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=N1)SCC(=O)NC2=C(C=C(C=C2[N+](=O)[O-])Br)Br)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=O)N(C(=N1)SCC(=O)NC2=C(C=C(C=C2[N+](=O)[O-])Br)Br)C3=CC=CC=C3

InChI

InChI=1S/C19H14Br2N4O4S/c1-11-7-17(27)24(13-5-3-2-4-6-13)19(22-11)30-10-16(26)23-18-14(21)8-12(20)9-15(18)25(28)29/h2-9H,10H2,1H3,(H,23,26)