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

Systemtic Name: 4-fluoranyl-N'-[6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-yl]benzohydrazide Openeye Name: 4-fluoro-N'-[5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-yl]benzohydrazide CAS Name: 4-fluoro-N'-[6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinyl]benzohydrazide IUPAC Name: 4-fluoro-N'-[6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-yl]benzohydrazide Traditional Name: 4-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=C(C=C3)F

Isomeric SMILES

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

InChI

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