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

Systemtic Name: 8-[6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-yl]sulfanylquinoline Openeye Name: 8-[5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-yl]sulfanylquinoline CAS Name: 8-[[6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinyl]thio]quinoline IUPAC Name: 8-[6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-yl]sulfanylquinoline Traditional Name: 8-[[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]thio]quinoline Formula: C20H14N4O2S2 MolecularWeight: 406.48076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H14N4O2S2/c1-13-7-9-15(10-8-13)27-19-18(24(25)26)20(23-12-22-19)28-16-6-2-4-14-5-3-11-21-17(14)16/h2-12H,1H3