2-[4-(2-cyanophenyl)phenyl]-2-(phenylcarbonylsulfanyl)ethanoic acid

Systemtic Name: 2-[4-(2-cyanophenyl)phenyl]-2-(phenylcarbonylsulfanyl)ethanoic acid Openeye Name: 2-benzoylsulfanyl-2-[4-(2-cyanophenyl)phenyl]acetic acid CAS Name: 2-(benzoylthio)-2-[4-(2-cyanophenyl)phenyl]acetic acid IUPAC Name: 2-benzoylsulfanyl-2-[4-(2-cyanophenyl)phenyl]acetic acid Traditional Name: 2-(benzoylthio)-2-[4-(2-cyanophenyl)phenyl]acetic acid Formula: C22H15NO3S MolecularWeight: 373.4244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SC(C2=CC=C(C=C2)C3=CC=CC=C3C#N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)SC(C2=CC=C(C=C2)C3=CC=CC=C3C#N)C(=O)O

InChI

InChI=1S/C22H15NO3S/c23-14-18-8-4-5-9-19(18)15-10-12-16(13-11-15)20(21(24)25)27-22(26)17-6-2-1-3-7-17/h1-13,20H,(H,24,25)