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

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

Systemtic Name:2-[4-(4-cyanophenyl)phenyl]-2-ethanoylsulfanyl-propanoic acid
Openeye Name:2-acetylsulfanyl-2-[4-(4-cyanophenyl)phenyl]propanoic acid
CAS Name:2-(acetylthio)-2-[4-(4-cyanophenyl)phenyl]propanoic acid
IUPAC Name:2-acetylsulfanyl-2-[4-(4-cyanophenyl)phenyl]propanoic acid
Traditional Name:2-(acetylthio)-2-[4-(4-cyanophenyl)phenyl]propionic acid
Formula: C18H15NO3S
MolecularWeight: 325.3816
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C18H15NO3S/c1-12(20)23-18(2,17(21)22)16-9-7-15(8-10-16)14-5-3-13(11-19)4-6-14/h3-10H,1-2H3,(H,21,22)


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