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

Systemtic Name: 3-nitro-N'-(5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-yl)benzohydrazide Openeye Name: 3-nitro-N'-[5-nitro-6-(8-quinolylsulfanyl)pyrimidin-4-yl]benzohydrazide CAS Name: 3-nitro-N'-[5-nitro-6-(8-quinolinylthio)-4-pyrimidinyl]benzohydrazide IUPAC Name: 3-nitro-N'-(5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-yl)benzohydrazide Traditional Name: 3-nitro-N'-[5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]benzohydrazide Formula: C20H13N7O5S MolecularWeight: 463.42612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)SC3=NC=NC(=C3[N+](=O)[O-])NNC(=O)C4=CC(=CC=C4)[N+](=O)[O-])N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)SC3=NC=NC(=C3[N+](=O)[O-])NNC(=O)C4=CC(=CC=C4)[N+](=O)[O-])N=CC=C2

InChI

InChI=1S/C20H13N7O5S/c28-19(13-5-1-7-14(10-13)26(29)30)25-24-18-17(27(31)32)20(23-11-22-18)33-15-8-2-4-12-6-3-9-21-16(12)15/h1-11H,(H,25,28)(H,22,23,24)