3-[(4-cyanophenyl)methylsulfanyl]propanoate

Systemtic Name: 3-[(4-cyanophenyl)methylsulfanyl]propanoate Openeye Name: 3-[(4-cyanophenyl)methylsulfanyl]propanoate CAS Name: 3-[(4-cyanophenyl)methylthio]propanoate IUPAC Name: 3-[(4-cyanophenyl)methylsulfanyl]propanoate Traditional Name: 3-[(4-cyanobenzyl)thio]propionate Formula: C11H10NO2S- MolecularWeight: 220.2676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCCC(=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC=C1CSCCC(=O)[O-])C#N

InChI

InChI=1S/C11H11NO2S/c12-7-9-1-3-10(4-2-9)8-15-6-5-11(13)14/h1-4H,5-6,8H2,(H,13,14)/p-1