2-(phenylmethylsulfanyl)-7-(trifluoromethyl)quinoline-3-carboxylic acid

Systemtic Name: 2-(phenylmethylsulfanyl)-7-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 2-benzylsulfanyl-7-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 2-(phenylmethylthio)-7-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 2-benzylsulfanyl-7-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 2-(benzylthio)-7-(trifluoromethyl)quinoline-3-carboxylic acid Formula: C18H12F3NO2S MolecularWeight: 363.35359

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C=C3C=CC(=CC3=N2)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C=C3C=CC(=CC3=N2)C(F)(F)F)C(=O)O

InChI

InChI=1S/C18H12F3NO2S/c19-18(20,21)13-7-6-12-8-14(17(23)24)16(22-15(12)9-13)25-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,23,24)