S-[2-phenyl-5-(phenylsulfonyl)-1H-imidazol-4-yl] 2,2,2-tris(fluoranyl)ethanethioate

Systemtic Name: S-[2-phenyl-5-(phenylsulfonyl)-1H-imidazol-4-yl] 2,2,2-tris(fluoranyl)ethanethioate Openeye Name: S-[5-(benzenesulfonyl)-2-phenyl-1H-imidazol-4-yl] 2,2,2-trifluoroethanethioate CAS Name: 2,2,2-trifluoroethanethioic acid S-[5-(benzenesulfonyl)-2-phenyl-1H-imidazol-4-yl] ester IUPAC Name: S-[5-(benzenesulfonyl)-2-phenyl-1H-imidazol-4-yl] 2,2,2-trifluoroethanethioate Traditional Name: 2,2,2-trifluoroethanethioic acid S-(5-besyl-2-phenyl-1H-imidazol-4-yl) ester Formula: C17H11F3N2O3S2 MolecularWeight: 412.40605

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(N2)S(=O)(=O)C3=CC=CC=C3)SC(=O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(N2)S(=O)(=O)C3=CC=CC=C3)SC(=O)C(F)(F)F

InChI

InChI=1S/C17H11F3N2O3S2/c18-17(19,20)16(23)26-14-15(27(24,25)12-9-5-2-6-10-12)22-13(21-14)11-7-3-1-4-8-11/h1-10H,(H,21,22)