2-butan-2-ylsulfanyl-1-(4-ethylphenyl)ethanone

Systemtic Name: 2-butan-2-ylsulfanyl-1-(4-ethylphenyl)ethanone Openeye Name: 1-(4-ethylphenyl)-2-sec-butylsulfanyl-ethanone CAS Name: 2-(butan-2-ylthio)-1-(4-ethylphenyl)ethanone IUPAC Name: 2-butan-2-ylsulfanyl-1-(4-ethylphenyl)ethanone Traditional Name: 1-(4-ethylphenyl)-2-(sec-butylthio)ethanone Formula: C14H20OS MolecularWeight: 236.373

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)CSC(C)CC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)CSC(C)CC

InChI

InChI=1S/C14H20OS/c1-4-11(3)16-10-14(15)13-8-6-12(5-2)7-9-13/h6-9,11H,4-5,10H2,1-3H3