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

Systemtic Name: 8-[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]sulfanylquinoline Openeye Name: 8-[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]sulfanylquinoline CAS Name: 8-[[6-(1-benzotriazolyl)-5-nitro-4-pyrimidinyl]thio]quinoline IUPAC Name: 8-[6-(benzotriazol-1-yl)-5-nitropyrimidin-4-yl]sulfanylquinoline Traditional Name: 8-[[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]thio]quinoline Formula: C19H11N7O2S MolecularWeight: 401.40134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2C3=C(C(=NC=N3)SC4=CC=CC5=C4N=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2C3=C(C(=NC=N3)SC4=CC=CC5=C4N=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C19H11N7O2S/c27-26(28)17-18(25-14-8-2-1-7-13(14)23-24-25)21-11-22-19(17)29-15-9-3-5-12-6-4-10-20-16(12)15/h1-11H