2-[[4-(2-cyanophenyl)phenyl]methylsulfanyl]benzoate

Systemtic Name: 2-[[4-(2-cyanophenyl)phenyl]methylsulfanyl]benzoate Openeye Name: 2-[[4-(2-cyanophenyl)phenyl]methylsulfanyl]benzoate CAS Name: 2-[[4-(2-cyanophenyl)phenyl]methylthio]benzoate IUPAC Name: 2-[[4-(2-cyanophenyl)phenyl]methylsulfanyl]benzoate Traditional Name: 2-[[4-(2-cyanophenyl)benzyl]thio]benzoate Formula: C21H14NO2S- MolecularWeight: 344.40636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CSC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CSC3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C21H15NO2S/c22-13-17-5-1-2-6-18(17)16-11-9-15(10-12-16)14-25-20-8-4-3-7-19(20)21(23)24/h1-12H,14H2,(H,23,24)/p-1