2-fluoranyl-N'-[6-[2-(4-methylphenyl)sulfonylhydrazinyl]-5-nitro-pyrimidin-4-yl]benzohydrazide

Systemtic Name: 2-fluoranyl-N'-[6-[2-(4-methylphenyl)sulfonylhydrazinyl]-5-nitro-pyrimidin-4-yl]benzohydrazide Openeye Name: 2-fluoro-N'-[5-nitro-6-[2-(p-tolylsulfonyl)hydrazino]pyrimidin-4-yl]benzohydrazide CAS Name: 2-fluoro-N'-[6-[(4-methylphenyl)sulfonylhydrazo]-5-nitro-4-pyrimidinyl]benzohydrazide IUPAC Name: 2-fluoro-N'-[6-[2-(4-methylphenyl)sulfonylhydrazinyl]-5-nitropyrimidin-4-yl]benzohydrazide Traditional Name: 2-fluoro-N'-[5-nitro-6-(N'-tosylhydrazino)pyrimidin-4-yl]benzohydrazide Formula: C18H16FN7O5S MolecularWeight: 461.426943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NNC(=O)C3=CC=CC=C3F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NNC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C18H16FN7O5S/c1-11-6-8-12(9-7-11)32(30,31)25-23-17-15(26(28)29)16(20-10-21-17)22-24-18(27)13-4-2-3-5-14(13)19/h2-10,25H,1H3,(H,24,27)(H2,20,21,22,23)