5-bromanyl-8-(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)oxy-quinoline

Systemtic Name: 5-bromanyl-8-(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)oxy-quinoline Openeye Name: 5-bromo-8-(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)oxy-quinoline CAS Name: 5-bromo-8-[[5-nitro-6-(phenylthio)-4-pyrimidinyl]oxy]quinoline IUPAC Name: 5-bromo-8-(5-nitro-6-phenylsulfanylpyrimidin-4-yl)oxyquinoline Traditional Name: 5-bromo-8-[5-nitro-6-(phenylthio)pyrimidin-4-yl]oxy-quinoline Formula: C19H11BrN4O3S MolecularWeight: 455.28464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H11BrN4O3S/c20-14-8-9-15(16-13(14)7-4-10-21-16)27-18-17(24(25)26)19(23-11-22-18)28-12-5-2-1-3-6-12/h1-11H