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

Systemtic Name: 2-fluoranyl-N'-[6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-yl]benzohydrazide Openeye Name: 2-fluoro-N'-[5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-yl]benzohydrazide CAS Name: 2-fluoro-N'-[6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinyl]benzohydrazide IUPAC Name: 2-fluoro-N'-[6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-yl]benzohydrazide Traditional Name: 2-fluoro-N'-[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]benzohydrazide Formula: C18H14FN5O3S MolecularWeight: 399.398863

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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=C3F

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NNC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C18H14FN5O3S/c1-11-6-8-12(9-7-11)28-18-15(24(26)27)16(20-10-21-18)22-23-17(25)13-4-2-3-5-14(13)19/h2-10H,1H3,(H,23,25)(H,20,21,22)