2-butan-2-ylsulfanyl-1-(3-chloranyl-4-methoxy-phenyl)ethanone

Systemtic Name: 2-butan-2-ylsulfanyl-1-(3-chloranyl-4-methoxy-phenyl)ethanone Openeye Name: 1-(3-chloro-4-methoxy-phenyl)-2-sec-butylsulfanyl-ethanone CAS Name: 2-(butan-2-ylthio)-1-(3-chloro-4-methoxyphenyl)ethanone IUPAC Name: 2-butan-2-ylsulfanyl-1-(3-chloro-4-methoxyphenyl)ethanone Traditional Name: 1-(3-chloro-4-methoxy-phenyl)-2-(sec-butylthio)ethanone Formula: C13H17ClO2S MolecularWeight: 272.79088

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SCC(=O)C1=CC(=C(C=C1)OC)Cl

Isomeric SMILES

CCC(C)SCC(=O)C1=CC(=C(C=C1)OC)Cl

InChI

InChI=1S/C13H17ClO2S/c1-4-9(2)17-8-12(15)10-5-6-13(16-3)11(14)7-10/h5-7,9H,4,8H2,1-3H3