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

Systemtic Name: 2-(3-chlorophenyl)-2-[2-(1-cyanoethyl)phenyl]sulfanyl-ethanoic acid Openeye Name: 2-(3-chlorophenyl)-2-[2-(1-cyanoethyl)phenyl]sulfanyl-acetic acid CAS Name: 2-(3-chlorophenyl)-2-[[2-(1-cyanoethyl)phenyl]thio]acetic acid IUPAC Name: 2-(3-chlorophenyl)-2-[2-(1-cyanoethyl)phenyl]sulfanylacetic acid Traditional Name: 2-(3-chlorophenyl)-2-[[2-(1-cyanoethyl)phenyl]thio]acetic acid Formula: C17H14ClNO2S MolecularWeight: 331.81656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)C1=CC=CC=C1SC(C2=CC(=CC=C2)Cl)C(=O)O

Isomeric SMILES

CC(C#N)C1=CC=CC=C1SC(C2=CC(=CC=C2)Cl)C(=O)O

InChI

InChI=1S/C17H14ClNO2S/c1-11(10-19)14-7-2-3-8-15(14)22-16(17(20)21)12-5-4-6-13(18)9-12/h2-9,11,16H,1H3,(H,20,21)