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

Systemtic Name: N-(2-bromanyl-4-nitro-phenyl)-2-(4-methyl-6-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-bromo-4-nitro-phenyl)-2-(4-methyl-6-oxo-1-phenyl-pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(2-bromo-4-nitrophenyl)-2-[(4-methyl-6-oxo-1-phenyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(2-bromo-4-nitrophenyl)-2-(4-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(2-bromo-4-nitro-phenyl)-2-[(6-keto-4-methyl-1-phenyl-pyrimidin-2-yl)thio]acetamide Formula: C19H15BrN4O4S MolecularWeight: 475.3158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C19H15BrN4O4S/c1-12-9-18(26)23(13-5-3-2-4-6-13)19(21-12)29-11-17(25)22-16-8-7-14(24(27)28)10-15(16)20/h2-10H,11H2,1H3,(H,22,25)