N-methyl-N-[(4-methylsulfanyl-1,3-benzodioxol-5-yl)methyl]prop-2-yn-1-amine

Systemtic Name: N-methyl-N-[(4-methylsulfanyl-1,3-benzodioxol-5-yl)methyl]prop-2-yn-1-amine Openeye Name: N-methyl-N-[(4-methylsulfanyl-1,3-benzodioxol-5-yl)methyl]prop-2-yn-1-amine CAS Name: N-methyl-N-[[4-(methylthio)-1,3-benzodioxol-5-yl]methyl]-2-propyn-1-amine IUPAC Name: N-methyl-N-[(4-methylsulfanyl-1,3-benzodioxol-5-yl)methyl]prop-2-yn-1-amine Traditional Name: methyl-[[4-(methylthio)-1,3-benzodioxol-5-yl]methyl]-propargyl-amine Formula: C13H15NO2S MolecularWeight: 249.3287

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC#C)CC1=C(C2=C(C=C1)OCO2)SC

Isomeric SMILES

CN(CC#C)CC1=C(C2=C(C=C1)OCO2)SC

InChI

InChI=1S/C13H15NO2S/c1-4-7-14(2)8-10-5-6-11-12(13(10)17-3)16-9-15-11/h1,5-6H,7-9H2,2-3H3