N'-[6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide

Systemtic Name: N'-[6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide Openeye Name: 3-nitro-N'-[5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-yl]benzohydrazide CAS Name: N'-[6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinyl]-3-nitrobenzohydrazide IUPAC Name: N'-[6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-yl]-3-nitrobenzohydrazide Traditional Name: 3-nitro-N'-[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]benzohydrazide Formula: C18H14N6O5S MolecularWeight: 426.40596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14N6O5S/c1-11-5-7-14(8-6-11)30-18-15(24(28)29)16(19-10-20-18)21-22-17(25)12-3-2-4-13(9-12)23(26)27/h2-10H,1H3,(H,22,25)(H,19,20,21)