S-[[4-chloranyl-3-(trifluoromethyl)phenyl]amino] 3-oxidanylidene-4,5-diphenyl-pyrazolidine-1-carbothioate

Systemtic Name: S-[[4-chloranyl-3-(trifluoromethyl)phenyl]amino] 3-oxidanylidene-4,5-diphenyl-pyrazolidine-1-carbothioate Openeye Name: S-[4-chloro-3-(trifluoromethyl)anilino] 3-oxo-4,5-diphenyl-pyrazolidine-1-carbothioate CAS Name: 3-oxo-4,5-diphenyl-1-pyrazolidinecarbothioic acid S-[4-chloro-3-(trifluoromethyl)anilino] ester IUPAC Name: S-[4-chloro-3-(trifluoromethyl)anilino] 3-oxo-4,5-diphenylpyrazolidine-1-carbothioate Traditional Name: 3-keto-4,5-diphenyl-pyrazolidine-1-carbothioic acid S-[4-chloro-3-(trifluoromethyl)anilino] ester Formula: C23H17ClF3N3O2S MolecularWeight: 491.91319

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(N(NC2=O)C(=O)SNC3=CC(=C(C=C3)Cl)C(F)(F)F)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2C(N(NC2=O)C(=O)SNC3=CC(=C(C=C3)Cl)C(F)(F)F)C4=CC=CC=C4

InChI

InChI=1S/C23H17ClF3N3O2S/c24-18-12-11-16(13-17(18)23(25,26)27)29-33-22(32)30-20(15-9-5-2-6-10-15)19(21(31)28-30)14-7-3-1-4-8-14/h1-13,19-20,29H,(H,28,31)