1-[3-(butylsulfanylmethyl)-4-methoxy-phenyl]ethanone

Systemtic Name: 1-[3-(butylsulfanylmethyl)-4-methoxy-phenyl]ethanone Openeye Name: 1-[3-(butylsulfanylmethyl)-4-methoxy-phenyl]ethanone CAS Name: 1-[3-[(butylthio)methyl]-4-methoxyphenyl]ethanone IUPAC Name: 1-[3-(butylsulfanylmethyl)-4-methoxyphenyl]ethanone Traditional Name: 1-[3-[(butylthio)methyl]-4-methoxy-phenyl]ethanone Formula: C14H20O2S MolecularWeight: 252.3724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC1=C(C=CC(=C1)C(=O)C)OC

Isomeric SMILES

CCCCSCC1=C(C=CC(=C1)C(=O)C)OC

InChI

InChI=1S/C14H20O2S/c1-4-5-8-17-10-13-9-12(11(2)15)6-7-14(13)16-3/h6-7,9H,4-5,8,10H2,1-3H3