N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-methylsulfanyl-aniline

Systemtic Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-methylsulfanyl-aniline Openeye Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-methylsulfanyl-aniline CAS Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(methylthio)aniline IUPAC Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-methylsulfanylaniline Traditional Name: 1-(1,3-benzodioxol-5-yl)ethyl-[3-(methylthio)phenyl]amine Formula: C16H17NO2S MolecularWeight: 287.37668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)NC3=CC(=CC=C3)SC

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCO2)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C16H17NO2S/c1-11(17-13-4-3-5-14(9-13)20-2)12-6-7-15-16(8-12)19-10-18-15/h3-9,11,17H,10H2,1-2H3