2-chloranyl-2-[2-[4-(1-cyanoethyl)phenyl]sulfanylphenyl]ethanoic acid

Systemtic Name: 2-chloranyl-2-[2-[4-(1-cyanoethyl)phenyl]sulfanylphenyl]ethanoic acid Openeye Name: 2-chloro-2-[2-[4-(1-cyanoethyl)phenyl]sulfanylphenyl]acetic acid CAS Name: 2-chloro-2-[2-[[4-(1-cyanoethyl)phenyl]thio]phenyl]acetic acid IUPAC Name: 2-chloro-2-[2-[4-(1-cyanoethyl)phenyl]sulfanylphenyl]acetic acid Traditional Name: 2-chloro-2-[2-[[4-(1-cyanoethyl)phenyl]thio]phenyl]acetic acid Formula: C17H14ClNO2S MolecularWeight: 331.81656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)C1=CC=C(C=C1)SC2=CC=CC=C2C(C(=O)O)Cl

Isomeric SMILES

CC(C#N)C1=CC=C(C=C1)SC2=CC=CC=C2C(C(=O)O)Cl

InChI

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