3-bromanyl-N-[2,2,2-tris(chloranyl)-1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioylamino]ethyl]benzamide

Systemtic Name: 3-bromanyl-N-[2,2,2-tris(chloranyl)-1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioylamino]ethyl]benzamide Openeye Name: 3-bromo-N-[2,2,2-trichloro-1-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamothioylamino]ethyl]benzamide CAS Name: 3-bromo-N-[2,2,2-trichloro-1-[[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-sulfanylidenemethyl]amino]ethyl]benzamide IUPAC Name: 3-bromo-N-[2,2,2-trichloro-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]ethyl]benzamide Traditional Name: 3-bromo-N-[2,2,2-trichloro-1-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiocarbamoylamino]ethyl]benzamide Formula: C21H19BrCl3N5O2S MolecularWeight: 591.73586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrCl3N5O2S/c1-12-16(18(32)30(29(12)2)15-9-4-3-5-10-15)26-20(33)28-19(21(23,24)25)27-17(31)13-7-6-8-14(22)11-13/h3-11,19H,1-2H3,(H,27,31)(H2,26,28,33)