1-[3-(aminomethyl)-5-methylsulfanyl-2-oxidanyl-phenyl]propan-1-one

Systemtic Name: 1-[3-(aminomethyl)-5-methylsulfanyl-2-oxidanyl-phenyl]propan-1-one Openeye Name: 1-[3-(aminomethyl)-2-hydroxy-5-methylsulfanyl-phenyl]propan-1-one CAS Name: 1-[3-(aminomethyl)-2-hydroxy-5-(methylthio)phenyl]-1-propanone IUPAC Name: 1-[3-(aminomethyl)-2-hydroxy-5-methylsulfanylphenyl]propan-1-one Traditional Name: 1-[3-(aminomethyl)-2-hydroxy-5-(methylthio)phenyl]propan-1-one Formula: C11H15NO2S MolecularWeight: 225.3073

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC(=CC(=C1O)CN)SC

Isomeric SMILES

CCC(=O)C1=CC(=CC(=C1O)CN)SC

InChI

InChI=1S/C11H15NO2S/c1-3-10(13)9-5-8(15-2)4-7(6-12)11(9)14/h4-5,14H,3,6,12H2,1-2H3