2-phenyl-4-(pyridin-3-ylsulfanylmethyl)benzoic acid

Systemtic Name: 2-phenyl-4-(pyridin-3-ylsulfanylmethyl)benzoic acid Openeye Name: 2-phenyl-4-(3-pyridylsulfanylmethyl)benzoic acid CAS Name: 2-phenyl-4-[(3-pyridinylthio)methyl]benzoic acid IUPAC Name: 2-phenyl-4-(pyridin-3-ylsulfanylmethyl)benzoic acid Traditional Name: 2-phenyl-4-[(3-pyridylthio)methyl]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)CSC3=CN=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=CC(=C2)CSC3=CN=CC=C3)C(=O)O

InChI

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