S-(1,3-benzoxazol-2-yl) 4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenecarbothioate

Systemtic Name: S-(1,3-benzoxazol-2-yl) 4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenecarbothioate Openeye Name: S-(1,3-benzoxazol-2-yl) 4-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenecarbothioate CAS Name: 4-[5-thiophen-2-yl-3-(trifluoromethyl)-1-pyrazolyl]benzenecarbothioic acid S-(1,3-benzoxazol-2-yl) ester IUPAC Name: S-(1,3-benzoxazol-2-yl) 4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenecarbothioate Traditional Name: 4-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]thiobenzoic acid S-(1,3-benzoxazol-2-yl) ester Formula: C22H12F3N3O2S2 MolecularWeight: 471.47479

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SC(=O)C3=CC=C(C=C3)N4C(=CC(=N4)C(F)(F)F)C5=CC=CS5

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SC(=O)C3=CC=C(C=C3)N4C(=CC(=N4)C(F)(F)F)C5=CC=CS5

InChI

InChI=1S/C22H12F3N3O2S2/c23-22(24,25)19-12-16(18-6-3-11-31-18)28(27-19)14-9-7-13(8-10-14)20(29)32-21-26-15-4-1-2-5-17(15)30-21/h1-12H