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

Systemtic Name: 4-[4,7-bis(chloranyl)-2-(2-methoxy-5-methylsulfanyl-phenyl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[4,7-dichloro-2-(2-methoxy-5-methylsulfanyl-phenyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[4,7-dichloro-2-[2-methoxy-5-(methylthio)phenyl]-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[4,7-dichloro-2-(2-methoxy-5-methylsulfanylphenyl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[4,7-dichloro-2-[2-methoxy-5-(methylthio)phenyl]-1H-indol-3-yl]butylamine Formula: C20H22Cl2N2OS MolecularWeight: 409.37248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SC)C2=C(C3=C(C=CC(=C3N2)Cl)Cl)CCCCN

Isomeric SMILES

COC1=C(C=C(C=C1)SC)C2=C(C3=C(C=CC(=C3N2)Cl)Cl)CCCCN

InChI

InChI=1S/C20H22Cl2N2OS/c1-25-17-9-6-12(26-2)11-14(17)19-13(5-3-4-10-23)18-15(21)7-8-16(22)20(18)24-19/h6-9,11,24H,3-5,10,23H2,1-2H3