2-[1-[4-(2-cyanophenyl)phenyl]ethylsulfanyl]ethanoic acid

Systemtic Name: 2-[1-[4-(2-cyanophenyl)phenyl]ethylsulfanyl]ethanoic acid Openeye Name: 2-[1-[4-(2-cyanophenyl)phenyl]ethylsulfanyl]acetic acid CAS Name: 2-[1-[4-(2-cyanophenyl)phenyl]ethylthio]acetic acid IUPAC Name: 2-[1-[4-(2-cyanophenyl)phenyl]ethylsulfanyl]acetic acid Traditional Name: 2-[1-[4-(2-cyanophenyl)phenyl]ethylthio]acetic acid Formula: C17H15NO2S MolecularWeight: 297.3715

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO2S/c1-12(21-11-17(19)20)13-6-8-14(9-7-13)16-5-3-2-4-15(16)10-18/h2-9,12H,11H2,1H3,(H,19,20)