N-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioyl]-4-fluoranyl-benzamide

Systemtic Name: N-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioyl]-4-fluoranyl-benzamide Openeye Name: N-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamothioyl]-4-fluoro-benzamide CAS Name: N-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-sulfanylidenemethyl]-4-fluorobenzamide IUPAC Name: N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]-4-fluorobenzamide Traditional Name: 4-fluoro-N-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiocarbamoyl]benzamide Formula: C19H17FN4O2S MolecularWeight: 384.427283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H17FN4O2S/c1-12-16(18(26)24(23(12)2)15-6-4-3-5-7-15)21-19(27)22-17(25)13-8-10-14(20)11-9-13/h3-11H,1-2H3,(H2,21,22,25,27)