8-(5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-yl)sulfanylquinoline

Systemtic Name: 8-(5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-yl)sulfanylquinoline Openeye Name: 8-[5-nitro-6-(8-quinolylsulfanyl)pyrimidin-4-yl]sulfanylquinoline CAS Name: 8-[[5-nitro-6-(8-quinolinylthio)-4-pyrimidinyl]thio]quinoline IUPAC Name: 8-(5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-yl)sulfanylquinoline Traditional Name: 8-[[5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]thio]quinoline Formula: C22H13N5O2S2 MolecularWeight: 443.50092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)SC3=C(C(=NC=N3)SC4=CC=CC5=C4N=CC=C5)[N+](=O)[O-])N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)SC3=C(C(=NC=N3)SC4=CC=CC5=C4N=CC=C5)[N+](=O)[O-])N=CC=C2

InChI

InChI=1S/C22H13N5O2S2/c28-27(29)20-21(30-16-9-1-5-14-7-3-11-23-18(14)16)25-13-26-22(20)31-17-10-2-6-15-8-4-12-24-19(15)17/h1-13H