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

Systemtic Name: [4-[3-(4-bromophenyl)sulfanylpropoxy]phenyl]methanamine Openeye Name: [4-[3-(4-bromophenyl)sulfanylpropoxy]phenyl]methanamine CAS Name: [4-[3-[(4-bromophenyl)thio]propoxy]phenyl]methanamine IUPAC Name: [4-[3-(4-bromophenyl)sulfanylpropoxy]phenyl]methanamine Traditional Name: [4-[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=C1CN)OCCCSC2=CC=C(C=C2)Br

Isomeric SMILES

C1=CC(=CC=C1CN)OCCCSC2=CC=C(C=C2)Br

InChI

InChI=1S/C16H18BrNOS/c17-14-4-8-16(9-5-14)20-11-1-10-19-15-6-2-13(12-18)3-7-15/h2-9H,1,10-12,18H2