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

Systemtic Name: N'-[6-[2-(4-methylphenyl)sulfonylhydrazinyl]-5-nitro-pyrimidin-4-yl]benzohydrazide Openeye Name: N'-[5-nitro-6-[2-(p-tolylsulfonyl)hydrazino]pyrimidin-4-yl]benzohydrazide CAS Name: N'-[6-[(4-methylphenyl)sulfonylhydrazo]-5-nitro-4-pyrimidinyl]benzohydrazide IUPAC Name: N'-[6-[2-(4-methylphenyl)sulfonylhydrazinyl]-5-nitropyrimidin-4-yl]benzohydrazide Traditional Name: N'-[5-nitro-6-(N'-tosylhydrazino)pyrimidin-4-yl]benzohydrazide Formula: C18H17N7O5S MolecularWeight: 443.43648

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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=C3

Isomeric SMILES

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

InChI

InChI=1S/C18H17N7O5S/c1-12-7-9-14(10-8-12)31(29,30)24-22-17-15(25(27)28)16(19-11-20-17)21-23-18(26)13-5-3-2-4-6-13/h2-11,24H,1H3,(H,23,26)(H2,19,20,21,22)