2-[(4-cyanophenyl)methylsulfanyl]benzoate

Systemtic Name: 2-[(4-cyanophenyl)methylsulfanyl]benzoate Openeye Name: 2-[(4-cyanophenyl)methylsulfanyl]benzoate CAS Name: 2-[(4-cyanophenyl)methylthio]benzoate IUPAC Name: 2-[(4-cyanophenyl)methylsulfanyl]benzoate Traditional Name: 2-[(4-cyanobenzyl)thio]benzoate Formula: C15H10NO2S- MolecularWeight: 268.3104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)[O-])SCC2=CC=C(C=C2)C#N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)[O-])SCC2=CC=C(C=C2)C#N

InChI

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