N-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-3-methylsulfanyl-aniline

Systemtic Name: N-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-3-methylsulfanyl-aniline Openeye Name: N-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-3-methylsulfanyl-aniline CAS Name: N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-(methylthio)aniline IUPAC Name: N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-methylsulfanylaniline Traditional Name: (2-bromo-4,5-dimethoxy-benzyl)-[3-(methylthio)phenyl]amine Formula: C16H18BrNO2S MolecularWeight: 368.28862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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