2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[[4-(trifluoromethyl)phenyl]methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[[4-(trifluoromethyl)benzyl]thio]nicotinic acid Formula: C14H10F3NO2S MolecularWeight: 313.29491

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC2=CC=C(C=C2)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)SCC2=CC=C(C=C2)C(F)(F)F)C(=O)O

InChI

InChI=1S/C14H10F3NO2S/c15-14(16,17)10-5-3-9(4-6-10)8-21-12-11(13(19)20)2-1-7-18-12/h1-7H,8H2,(H,19,20)