5-bromanyl-8-[6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-yl]oxy-quinoline

Systemtic Name: 5-bromanyl-8-[6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-yl]oxy-quinoline Openeye Name: 5-bromo-8-[5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-yl]oxy-quinoline CAS Name: 5-bromo-8-[[6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinyl]oxy]quinoline IUPAC Name: 5-bromo-8-[6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-yl]oxyquinoline Traditional Name: 5-bromo-8-[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]oxy-quinoline Formula: C20H13BrN4O3S MolecularWeight: 469.31122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])OC3=C4C(=C(C=C3)Br)C=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])OC3=C4C(=C(C=C3)Br)C=CC=N4

InChI

InChI=1S/C20H13BrN4O3S/c1-12-4-6-13(7-5-12)29-20-18(25(26)27)19(23-11-24-20)28-16-9-8-15(21)14-3-2-10-22-17(14)16/h2-11H,1H3