N-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-4-methylsulfanyl-aniline

Systemtic Name: N-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-4-methylsulfanyl-aniline Openeye Name: N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-4-methylsulfanyl-aniline CAS Name: N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-4-(methylthio)aniline IUPAC Name: N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-4-methylsulfanylaniline Traditional Name: (6-bromo-1,3-benzodioxol-5-yl)methyl-[4-(methylthio)phenyl]amine Formula: C15H14BrNO2S MolecularWeight: 352.24616

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NCC2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

CSC1=CC=C(C=C1)NCC2=CC3=C(C=C2Br)OCO3

InChI

InChI=1S/C15H14BrNO2S/c1-20-12-4-2-11(3-5-12)17-8-10-6-14-15(7-13(10)16)19-9-18-14/h2-7,17H,8-9H2,1H3