4-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-methyl-aniline

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-methyl-aniline Openeye Name: 4-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-methyl-aniline CAS Name: 4-(1,3-benzodioxol-5-ylmethylthio)-3-methylaniline IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-methylaniline Traditional Name: [3-methyl-4-(piperonylthio)phenyl]amine Formula: C15H15NO2S MolecularWeight: 273.3501

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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