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

Systemtic Name: N-[2,2,2-tris(chloranyl)-1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioylamino]ethyl]benzamide Openeye Name: N-[2,2,2-trichloro-1-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamothioylamino]ethyl]benzamide CAS Name: N-[2,2,2-trichloro-1-[[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-sulfanylidenemethyl]amino]ethyl]benzamide IUPAC Name: N-[2,2,2-trichloro-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]ethyl]benzamide Traditional Name: N-[2,2,2-trichloro-1-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiocarbamoylamino]ethyl]benzamide Formula: C21H20Cl3N5O2S MolecularWeight: 512.8398

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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

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

InChI

InChI=1S/C21H20Cl3N5O2S/c1-13-16(18(31)29(28(13)2)15-11-7-4-8-12-15)25-20(32)27-19(21(22,23)24)26-17(30)14-9-5-3-6-10-14/h3-12,19H,1-2H3,(H,26,30)(H2,25,27,32)