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

Systemtic Name: 2-bromanyl-N'-(5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-yl)benzohydrazide Openeye Name: 2-bromo-N'-[5-nitro-6-(8-quinolylsulfanyl)pyrimidin-4-yl]benzohydrazide CAS Name: 2-bromo-N'-[5-nitro-6-(8-quinolinylthio)-4-pyrimidinyl]benzohydrazide IUPAC Name: 2-bromo-N'-(5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-yl)benzohydrazide Traditional Name: 2-bromo-N'-[5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]benzohydrazide Formula: C20H13BrN6O3S MolecularWeight: 497.32462

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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-])Br

Isomeric SMILES

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

InChI

InChI=1S/C20H13BrN6O3S/c21-14-8-2-1-7-13(14)19(28)26-25-18-17(27(29)30)20(24-11-23-18)31-15-9-3-5-12-6-4-10-22-16(12)15/h1-11H,(H,26,28)(H,23,24,25)