2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-methyl-aniline

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-methyl-aniline Openeye Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-methyl-aniline CAS Name: 2-(1,3-benzodioxol-5-ylmethylthio)-5-methylaniline IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-methylaniline Traditional Name: [5-methyl-2-(piperonylthio)phenyl]amine Formula: C15H15NO2S MolecularWeight: 273.3501

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC2=CC3=C(C=C2)OCO3)N

Isomeric SMILES

CC1=CC(=C(C=C1)SCC2=CC3=C(C=C2)OCO3)N

InChI

InChI=1S/C15H15NO2S/c1-10-2-5-15(12(16)6-10)19-8-11-3-4-13-14(7-11)18-9-17-13/h2-7H,8-9,16H2,1H3