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

Systemtic Name: 2-methoxy-N'-(5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-yl)benzohydrazide Openeye Name: 2-methoxy-N'-[5-nitro-6-(8-quinolylsulfanyl)pyrimidin-4-yl]benzohydrazide CAS Name: 2-methoxy-N'-[5-nitro-6-(8-quinolinylthio)-4-pyrimidinyl]benzohydrazide IUPAC Name: 2-methoxy-N'-(5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-yl)benzohydrazide Traditional Name: 2-methoxy-N'-[5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]benzohydrazide Formula: C21H16N6O4S MolecularWeight: 448.45454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NNC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1C(=O)NNC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N6O4S/c1-31-15-9-3-2-8-14(15)20(28)26-25-19-18(27(29)30)21(24-12-23-19)32-16-10-4-6-13-7-5-11-22-17(13)16/h2-12H,1H3,(H,26,28)(H,23,24,25)