2-bromanyl-N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]carbonyl-4-fluoranyl-benzohydrazide

Systemtic Name: 2-bromanyl-N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]carbonyl-4-fluoranyl-benzohydrazide Openeye Name: 2-bromo-N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]-4-fluoro-benzohydrazide CAS Name: 2-bromo-N'-[[4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]phenyl]-oxomethyl]-4-fluorobenzohydrazide IUPAC Name: 2-bromo-N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]-4-fluorobenzohydrazide Traditional Name: 2-bromo-N'-[4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzoyl]-4-fluoro-benzohydrazide Formula: C21H18BrFN4O2S MolecularWeight: 489.360623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NNC(=O)C3=C(C=C(C=C3)F)Br)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NNC(=O)C3=C(C=C(C=C3)F)Br)C

InChI

InChI=1S/C21H18BrFN4O2S/c1-12-9-13(2)25-21(24-12)30-11-14-3-5-15(6-4-14)19(28)26-27-20(29)17-8-7-16(23)10-18(17)22/h3-10H,11H2,1-2H3,(H,26,28)(H,27,29)