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4-pyridin-2-ylsulfanylbenzoic acid

4-pyridin-2-ylsulfanylbenzoic acid

Systemtic Name:4-pyridin-2-ylsulfanylbenzoic acid
Openeye Name:4-(2-pyridylsulfanyl)benzoic acid
CAS Name:4-(2-pyridinylthio)benzoic acid
IUPAC Name:4-pyridin-2-ylsulfanylbenzoic acid
Traditional Name:4-(2-pyridylthio)benzoic acid
Formula: C12H9NO2S
MolecularWeight: 231.27036
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)SC2=CC=C(C=C2)C(=O)O


Isomeric SMILES

C1=CC=NC(=C1)SC2=CC=C(C=C2)C(=O)O


InChI

InChI=1S/C12H9NO2S/c14-12(15)9-4-6-10(7-5-9)16-11-3-1-2-8-13-11/h1-8H,(H,14,15)


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