4-[(4-cyanophenyl)methylsulfanylmethyl]benzoate

Systemtic Name: 4-[(4-cyanophenyl)methylsulfanylmethyl]benzoate Openeye Name: 4-[(4-cyanophenyl)methylsulfanylmethyl]benzoate CAS Name: 4-[[(4-cyanophenyl)methylthio]methyl]benzoate IUPAC Name: 4-[(4-cyanophenyl)methylsulfanylmethyl]benzoate Traditional Name: 4-[[(4-cyanobenzyl)thio]methyl]benzoate Formula: C16H12NO2S- MolecularWeight: 282.33698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCC2=CC=C(C=C2)C(=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC=C1CSCC2=CC=C(C=C2)C(=O)[O-])C#N

InChI

InChI=1S/C16H13NO2S/c17-9-12-1-3-13(4-2-12)10-20-11-14-5-7-15(8-6-14)16(18)19/h1-8H,10-11H2,(H,18,19)/p-1