N'-(5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-yl)-2-phenyl-ethanehydrazide

Systemtic Name: N'-(5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-yl)-2-phenyl-ethanehydrazide Openeye Name: N'-[5-nitro-6-(8-quinolylsulfanyl)pyrimidin-4-yl]-2-phenyl-acetohydrazide CAS Name: N'-[5-nitro-6-(8-quinolinylthio)-4-pyrimidinyl]-2-phenylacetohydrazide IUPAC Name: N'-(5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-yl)-2-phenylacetohydrazide Traditional Name: N'-[5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]-2-phenyl-acetohydrazide Formula: C21H16N6O3S MolecularWeight: 432.45514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N6O3S/c28-17(12-14-6-2-1-3-7-14)25-26-20-19(27(29)30)21(24-13-23-20)31-16-10-4-8-15-9-5-11-22-18(15)16/h1-11,13H,12H2,(H,25,28)(H,23,24,26)