4-[4-[2-(1H-benzimidazol-2-yl)ethanethioyl]phenoxy]-3-methylsulfonyl-benzoic acid

Systemtic Name: 4-[4-[2-(1H-benzimidazol-2-yl)ethanethioyl]phenoxy]-3-methylsulfonyl-benzoic acid Openeye Name: 4-[4-[2-(1H-benzimidazol-2-yl)ethanethioyl]phenoxy]-3-methylsulfonyl-benzoic acid CAS Name: 4-[4-[2-(1H-benzimidazol-2-yl)-1-sulfanylideneethyl]phenoxy]-3-methylsulfonylbenzoic acid IUPAC Name: 4-[4-[2-(1H-benzimidazol-2-yl)ethanethioyl]phenoxy]-3-methylsulfonylbenzoic acid Traditional Name: 4-[4-[2-(1H-benzimidazol-2-yl)thioacetyl]phenoxy]-3-mesyl-benzoic acid Formula: C23H18N2O5S2 MolecularWeight: 466.52942

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)OC2=CC=C(C=C2)C(=S)CC3=NC4=CC=CC=C4N3

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)OC2=CC=C(C=C2)C(=S)CC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C23H18N2O5S2/c1-32(28,29)21-12-15(23(26)27)8-11-19(21)30-16-9-6-14(7-10-16)20(31)13-22-24-17-4-2-3-5-18(17)25-22/h2-12H,13H2,1H3,(H,24,25)(H,26,27)