4-[(3-cyanophenyl)methylsulfanyl]benzoic acid

Systemtic Name: 4-[(3-cyanophenyl)methylsulfanyl]benzoic acid Openeye Name: 4-[(3-cyanophenyl)methylsulfanyl]benzoic acid CAS Name: 4-[(3-cyanophenyl)methylthio]benzoic acid IUPAC Name: 4-[(3-cyanophenyl)methylsulfanyl]benzoic acid Traditional Name: 4-[(3-cyanobenzyl)thio]benzoic acid Formula: C15H11NO2S MolecularWeight: 269.31834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=CC=C(C=C2)C(=O)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=CC=C(C=C2)C(=O)O)C#N

InChI

InChI=1S/C15H11NO2S/c16-9-11-2-1-3-12(8-11)10-19-14-6-4-13(5-7-14)15(17)18/h1-8H,10H2,(H,17,18)