8-[6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]sulfanylquinoline

Systemtic Name: 8-[6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]sulfanylquinoline Openeye Name: 8-[6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]sulfanylquinoline CAS Name: 8-[[6-(1-benzimidazolyl)-5-nitro-4-pyrimidinyl]thio]quinoline IUPAC Name: 8-[6-(benzimidazol-1-yl)-5-nitropyrimidin-4-yl]sulfanylquinoline Traditional Name: 8-[[6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]thio]quinoline Formula: C20H12N6O2S MolecularWeight: 400.41328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CN2C3=C(C(=NC=N3)SC4=CC=CC5=C4N=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=CN2C3=C(C(=NC=N3)SC4=CC=CC5=C4N=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C20H12N6O2S/c27-26(28)18-19(25-12-24-14-7-1-2-8-15(14)25)22-11-23-20(18)29-16-9-3-5-13-6-4-10-21-17(13)16/h1-12H