N'-(5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-yl)benzohydrazide

Systemtic Name: N'-(5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-yl)benzohydrazide Openeye Name: N'-[5-nitro-6-(8-quinolylsulfanyl)pyrimidin-4-yl]benzohydrazide CAS Name: N'-[5-nitro-6-(8-quinolinylthio)-4-pyrimidinyl]benzohydrazide IUPAC Name: N'-(5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-yl)benzohydrazide Traditional Name: N'-[5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]benzohydrazide Formula: C20H14N6O3S MolecularWeight: 418.42856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NNC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NNC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H14N6O3S/c27-19(14-6-2-1-3-7-14)25-24-18-17(26(28)29)20(23-12-22-18)30-15-10-4-8-13-9-5-11-21-16(13)15/h1-12H,(H,25,27)(H,22,23,24)