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

Systemtic Name: 2-[4-(2-cyanophenyl)phenyl]-2-ethanoylsulfanyl-ethanoic acid Openeye Name: 2-acetylsulfanyl-2-[4-(2-cyanophenyl)phenyl]acetic acid CAS Name: 2-(acetylthio)-2-[4-(2-cyanophenyl)phenyl]acetic acid IUPAC Name: 2-acetylsulfanyl-2-[4-(2-cyanophenyl)phenyl]acetic acid Traditional Name: 2-(acetylthio)-2-[4-(2-cyanophenyl)phenyl]acetic acid Formula: C17H13NO3S MolecularWeight: 311.35502

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(C1=CC=C(C=C1)C2=CC=CC=C2C#N)C(=O)O

Isomeric SMILES

CC(=O)SC(C1=CC=C(C=C1)C2=CC=CC=C2C#N)C(=O)O

InChI

InChI=1S/C17H13NO3S/c1-11(19)22-16(17(20)21)13-8-6-12(7-9-13)15-5-3-2-4-14(15)10-18/h2-9,16H,1H3,(H,20,21)