1-[3-(2-azanylethylsulfanylmethyl)-4-methoxy-phenyl]ethanone

Systemtic Name: 1-[3-(2-azanylethylsulfanylmethyl)-4-methoxy-phenyl]ethanone Openeye Name: 1-[3-(2-aminoethylsulfanylmethyl)-4-methoxy-phenyl]ethanone CAS Name: 1-[3-[(2-aminoethylthio)methyl]-4-methoxyphenyl]ethanone IUPAC Name: 1-[3-(2-aminoethylsulfanylmethyl)-4-methoxyphenyl]ethanone Traditional Name: 1-[3-[(2-aminoethylthio)methyl]-4-methoxy-phenyl]ethanone Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO2S/c1-9(14)10-3-4-12(15-2)11(7-10)8-16-6-5-13/h3-4,7H,5-6,8,13H2,1-2H3