2-[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl]sulfanyl-3H-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl]sulfanyl-3H-benzimidazole-5-carboxylic acid Openeye Name: 2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanyl-3H-benzimidazole-5-carboxylic acid CAS Name: 2-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]thio]-3H-benzimidazole-5-carboxylic acid IUPAC Name: 2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanyl-3H-benzimidazole-5-carboxylic acid Traditional Name: 2-[[2-keto-2-[3-(trifluoromethyl)anilino]ethyl]thio]-3H-benzimidazole-5-carboxylic acid Formula: C17H12F3N3O3S MolecularWeight: 395.35569

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CSC2=NC3=C(N2)C=C(C=C3)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CSC2=NC3=C(N2)C=C(C=C3)C(=O)O)C(F)(F)F

InChI

InChI=1S/C17H12F3N3O3S/c18-17(19,20)10-2-1-3-11(7-10)21-14(24)8-27-16-22-12-5-4-9(15(25)26)6-13(12)23-16/h1-7H,8H2,(H,21,24)(H,22,23)(H,25,26)