[3-[3-(4-bromophenyl)sulfanylpropoxy]phenyl]methanamine

Systemtic Name: [3-[3-(4-bromophenyl)sulfanylpropoxy]phenyl]methanamine Openeye Name: [3-[3-(4-bromophenyl)sulfanylpropoxy]phenyl]methanamine CAS Name: [3-[3-[(4-bromophenyl)thio]propoxy]phenyl]methanamine IUPAC Name: [3-[3-(4-bromophenyl)sulfanylpropoxy]phenyl]methanamine Traditional Name: [3-[3-[(4-bromophenyl)thio]propoxy]benzyl]amine Formula: C16H18BrNOS MolecularWeight: 352.28922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCCCSC2=CC=C(C=C2)Br)CN

Isomeric SMILES

C1=CC(=CC(=C1)OCCCSC2=CC=C(C=C2)Br)CN

InChI

InChI=1S/C16H18BrNOS/c17-14-5-7-16(8-6-14)20-10-2-9-19-15-4-1-3-13(11-15)12-18/h1,3-8,11H,2,9-10,12,18H2