4-(3-cyanophenyl)sulfanylbutyl ethanoate

Systemtic Name: 4-(3-cyanophenyl)sulfanylbutyl ethanoate Openeye Name: 4-(3-cyanophenyl)sulfanylbutyl acetate CAS Name: acetic acid 4-[(3-cyanophenyl)thio]butyl ester IUPAC Name: 4-(3-cyanophenyl)sulfanylbutyl acetate Traditional Name: acetic acid 4-[(3-cyanophenyl)thio]butyl ester Formula: C13H15NO2S MolecularWeight: 249.3287

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCCSC1=CC=CC(=C1)C#N

Isomeric SMILES

CC(=O)OCCCCSC1=CC=CC(=C1)C#N

InChI

InChI=1S/C13H15NO2S/c1-11(15)16-7-2-3-8-17-13-6-4-5-12(9-13)10-14/h4-6,9H,2-3,7-8H2,1H3