4-[5-bromanyl-2-(2-methoxy-5-methylsulfanyl-phenyl)-1H-indol-3-yl]butan-1-amine

Systemtic Name: 4-[5-bromanyl-2-(2-methoxy-5-methylsulfanyl-phenyl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[5-bromo-2-(2-methoxy-5-methylsulfanyl-phenyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[5-bromo-2-[2-methoxy-5-(methylthio)phenyl]-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[5-bromo-2-(2-methoxy-5-methylsulfanylphenyl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[5-bromo-2-[2-methoxy-5-(methylthio)phenyl]-1H-indol-3-yl]butylamine Formula: C20H23BrN2OS MolecularWeight: 419.37842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SC)C2=C(C3=C(N2)C=CC(=C3)Br)CCCCN

Isomeric SMILES

COC1=C(C=C(C=C1)SC)C2=C(C3=C(N2)C=CC(=C3)Br)CCCCN

InChI

InChI=1S/C20H23BrN2OS/c1-24-19-9-7-14(25-2)12-17(19)20-15(5-3-4-10-22)16-11-13(21)6-8-18(16)23-20/h6-9,11-12,23H,3-5,10,22H2,1-2H3