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2-(phenylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid

2-(phenylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid

Systemtic Name:2-(phenylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid
Openeye Name:2-benzylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxylic acid
CAS Name:2-(phenylmethylthio)-4-(trifluoromethyl)-3-pyridinecarboxylic acid
IUPAC Name:2-benzylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxylic acid
Traditional Name:2-(benzylthio)-4-(trifluoromethyl)nicotinic acid
Formula: C14H10F3NO2S
MolecularWeight: 313.29491
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC=CC(=C2C(=O)O)C(F)(F)F


Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC=CC(=C2C(=O)O)C(F)(F)F


InChI

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


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