4-[7-bromanyl-2-(2-methoxy-5-methylsulfanyl-phenyl)-1H-indol-3-yl]butan-1-amine

Systemtic Name: 4-[7-bromanyl-2-(2-methoxy-5-methylsulfanyl-phenyl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[7-bromo-2-(2-methoxy-5-methylsulfanyl-phenyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[7-bromo-2-[2-methoxy-5-(methylthio)phenyl]-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[7-bromo-2-(2-methoxy-5-methylsulfanylphenyl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[7-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/c1-24-18-10-9-13(25-2)12-16(18)19-14(6-3-4-11-22)15-7-5-8-17(21)20(15)23-19/h5,7-10,12,23H,3-4,6,11,22H2,1-2H3