8-[6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-yl]oxyquinoline

Systemtic Name: 8-[6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-yl]oxyquinoline Openeye Name: 8-[5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-yl]oxyquinoline CAS Name: 8-[[6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinyl]oxy]quinoline IUPAC Name: 8-[6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-yl]oxyquinoline Traditional Name: 8-[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]oxyquinoline Formula: C20H14N4O3S MolecularWeight: 390.41516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])OC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])OC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C20H14N4O3S/c1-13-7-9-15(10-8-13)28-20-18(24(25)26)19(22-12-23-20)27-16-6-2-4-14-5-3-11-21-17(14)16/h2-12H,1H3