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

Systemtic Name: 3-bromanyl-N-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioyl]benzamide Openeye Name: 3-bromo-N-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamothioyl]benzamide CAS Name: 3-bromo-N-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]benzamide Traditional Name: 3-bromo-N-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiocarbamoyl]benzamide Formula: C19H17BrN4O2S MolecularWeight: 445.33288

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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(=CC=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C19H17BrN4O2S/c1-12-16(18(26)24(23(12)2)15-9-4-3-5-10-15)21-19(27)22-17(25)13-7-6-8-14(20)11-13/h3-11H,1-2H3,(H2,21,22,25,27)