2-[2-[3-(1-cyanoethyl)phenyl]sulfanylphenyl]ethanoic acid

Systemtic Name: 2-[2-[3-(1-cyanoethyl)phenyl]sulfanylphenyl]ethanoic acid Openeye Name: 2-[2-[3-(1-cyanoethyl)phenyl]sulfanylphenyl]acetic acid CAS Name: 2-[2-[[3-(1-cyanoethyl)phenyl]thio]phenyl]acetic acid IUPAC Name: 2-[2-[3-(1-cyanoethyl)phenyl]sulfanylphenyl]acetic acid Traditional Name: 2-[2-[[3-(1-cyanoethyl)phenyl]thio]phenyl]acetic acid Formula: C17H15NO2S MolecularWeight: 297.3715

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)C1=CC(=CC=C1)SC2=CC=CC=C2CC(=O)O

Isomeric SMILES

CC(C#N)C1=CC(=CC=C1)SC2=CC=CC=C2CC(=O)O

InChI

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