2-phenyl-4-(pyridin-2-ylmethylsulfanyl)benzoic acid

Systemtic Name: 2-phenyl-4-(pyridin-2-ylmethylsulfanyl)benzoic acid Openeye Name: 2-phenyl-4-(2-pyridylmethylsulfanyl)benzoic acid CAS Name: 2-phenyl-4-(2-pyridinylmethylthio)benzoic acid IUPAC Name: 2-phenyl-4-(pyridin-2-ylmethylsulfanyl)benzoic acid Traditional Name: 2-phenyl-4-(2-pyridylmethylthio)benzoic acid Formula: C19H15NO2S MolecularWeight: 321.3929

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=CC(=C2)SCC3=CC=CC=N3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=CC(=C2)SCC3=CC=CC=N3)C(=O)O

InChI

InChI=1S/C19H15NO2S/c21-19(22)17-10-9-16(23-13-15-8-4-5-11-20-15)12-18(17)14-6-2-1-3-7-14/h1-12H,13H2,(H,21,22)