2-[(3-cyanophenyl)methylsulfanyl]ethanoic acid

Systemtic Name: 2-[(3-cyanophenyl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(3-cyanophenyl)methylsulfanyl]acetic acid CAS Name: 2-[(3-cyanophenyl)methylthio]acetic acid IUPAC Name: 2-[(3-cyanophenyl)methylsulfanyl]acetic acid Traditional Name: 2-[(3-cyanobenzyl)thio]acetic acid Formula: C10H9NO2S MolecularWeight: 207.24896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSCC(=O)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CSCC(=O)O)C#N

InChI

InChI=1S/C10H9NO2S/c11-5-8-2-1-3-9(4-8)6-14-7-10(12)13/h1-4H,6-7H2,(H,12,13)