2-(4-cyanophenyl)sulfanylethanoic acid

Systemtic Name: 2-(4-cyanophenyl)sulfanylethanoic acid Openeye Name: 2-(4-cyanophenyl)sulfanylacetic acid CAS Name: 2-[(4-cyanophenyl)thio]acetic acid IUPAC Name: 2-(4-cyanophenyl)sulfanylacetic acid Traditional Name: 2-[(4-cyanophenyl)thio]acetic acid Formula: C9H7NO2S MolecularWeight: 193.22238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)SCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C#N)SCC(=O)O

InChI

InChI=1S/C9H7NO2S/c10-5-7-1-3-8(4-2-7)13-6-9(11)12/h1-4H,6H2,(H,11,12)