3-(4-cyclopropylsulfanylphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid

Systemtic Name: 3-(4-cyclopropylsulfanylphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid Openeye Name: 3-(4-cyclopropylsulfanylphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid CAS Name: 3-[4-(cyclopropylthio)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]-2-indolecarboxylic acid IUPAC Name: 3-(4-cyclopropylsulfanylphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid Traditional Name: 3-[4-(cyclopropylthio)phenyl]-1-[3-(trifluoromethyl)benzyl]indole-2-carboxylic acid Formula: C26H20F3NO2S MolecularWeight: 467.50271

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1SC2=CC=C(C=C2)C3=C(N(C4=CC=CC=C43)CC5=CC(=CC=C5)C(F)(F)F)C(=O)O

Isomeric SMILES

C1CC1SC2=CC=C(C=C2)C3=C(N(C4=CC=CC=C43)CC5=CC(=CC=C5)C(F)(F)F)C(=O)O

InChI

InChI=1S/C26H20F3NO2S/c27-26(28,29)18-5-3-4-16(14-18)15-30-22-7-2-1-6-21(22)23(24(30)25(31)32)17-8-10-19(11-9-17)33-20-12-13-20/h1-11,14,20H,12-13,15H2,(H,31,32)