N-[(5-bromanyl-2-propoxy-phenyl)methyl]-2-methylsulfanyl-aniline

Systemtic Name: N-[(5-bromanyl-2-propoxy-phenyl)methyl]-2-methylsulfanyl-aniline Openeye Name: N-[(5-bromo-2-propoxy-phenyl)methyl]-2-methylsulfanyl-aniline CAS Name: N-[(5-bromo-2-propoxyphenyl)methyl]-2-(methylthio)aniline IUPAC Name: N-[(5-bromo-2-propoxyphenyl)methyl]-2-methylsulfanylaniline Traditional Name: (5-bromo-2-propoxy-benzyl)-[2-(methylthio)phenyl]amine Formula: C17H20BrNOS MolecularWeight: 366.3158

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)CNC2=CC=CC=C2SC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)CNC2=CC=CC=C2SC

InChI

InChI=1S/C17H20BrNOS/c1-3-10-20-16-9-8-14(18)11-13(16)12-19-15-6-4-5-7-17(15)21-2/h4-9,11,19H,3,10,12H2,1-2H3