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

Systemtic Name: N-[2,4-bis(bromanyl)-6-nitro-phenyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2,4-dibromo-6-nitro-phenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(2,4-dibromo-6-nitrophenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(2,4-dibromo-6-nitrophenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(2,4-dibromo-6-nitro-phenyl)-2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]acetamide Formula: C19H14Br2N4O3S MolecularWeight: 538.21246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC3=C(C=C(C=C3[N+](=O)[O-])Br)Br

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC3=C(C=C(C=C3[N+](=O)[O-])Br)Br

InChI

InChI=1S/C19H14Br2N4O3S/c1-11-7-15(12-5-3-2-4-6-12)23-19(22-11)29-10-17(26)24-18-14(21)8-13(20)9-16(18)25(27)28/h2-9H,10H2,1H3,(H,24,26)