N-[(3-bromanyl-4,5-dimethoxy-phenyl)methyl]-4-methylsulfanyl-aniline

Systemtic Name: N-[(3-bromanyl-4,5-dimethoxy-phenyl)methyl]-4-methylsulfanyl-aniline Openeye Name: N-[(3-bromo-4,5-dimethoxy-phenyl)methyl]-4-methylsulfanyl-aniline CAS Name: N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-4-(methylthio)aniline IUPAC Name: N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-4-methylsulfanylaniline Traditional Name: (3-bromo-4,5-dimethoxy-benzyl)-[4-(methylthio)phenyl]amine Formula: C16H18BrNO2S MolecularWeight: 368.28862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNC2=CC=C(C=C2)SC)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)CNC2=CC=C(C=C2)SC)Br)OC

InChI

InChI=1S/C16H18BrNO2S/c1-19-15-9-11(8-14(17)16(15)20-2)10-18-12-4-6-13(21-3)7-5-12/h4-9,18H,10H2,1-3H3