3-[(5-bromanyl-2-propoxy-phenyl)methylsulfanyl]propan-1-amine

Systemtic Name: 3-[(5-bromanyl-2-propoxy-phenyl)methylsulfanyl]propan-1-amine Openeye Name: 3-[(5-bromo-2-propoxy-phenyl)methylsulfanyl]propan-1-amine CAS Name: 3-[(5-bromo-2-propoxyphenyl)methylthio]-1-propanamine IUPAC Name: 3-[(5-bromo-2-propoxyphenyl)methylsulfanyl]propan-1-amine Traditional Name: 3-[(5-bromo-2-propoxy-benzyl)thio]propylamine Formula: C13H20BrNOS MolecularWeight: 318.273

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)CSCCCN

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)CSCCCN

InChI

InChI=1S/C13H20BrNOS/c1-2-7-16-13-5-4-12(14)9-11(13)10-17-8-3-6-15/h4-5,9H,2-3,6-8,10,15H2,1H3