sodium 3-(4-cyclopropylsulfanylphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate

Systemtic Name: sodium 3-(4-cyclopropylsulfanylphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate Openeye Name: sodium 3-(4-cyclopropylsulfanylphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate CAS Name: sodium 3-[4-(cyclopropylthio)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]-2-indolecarboxylate IUPAC Name: sodium 3-(4-cyclopropylsulfanylphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate Traditional Name: sodium 3-[4-(cyclopropylthio)phenyl]-1-[3-(trifluoromethyl)benzyl]indole-2-carboxylate Formula: C26H19F3NNaO2S MolecularWeight: 489.48454

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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-].[Na+]

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-].[Na+]

InChI

InChI=1S/C26H20F3NO2S.Na/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);/q;+1/p-1