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

Systemtic Name: 4-[5-chloranyl-2-(2-methoxy-5-methylsulfanyl-phenyl)-7-methyl-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[5-chloro-2-(2-methoxy-5-methylsulfanyl-phenyl)-7-methyl-1H-indol-3-yl]butan-1-amine CAS Name: 4-[5-chloro-2-[2-methoxy-5-(methylthio)phenyl]-7-methyl-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[5-chloro-2-(2-methoxy-5-methylsulfanylphenyl)-7-methyl-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[5-chloro-2-[2-methoxy-5-(methylthio)phenyl]-7-methyl-1H-indol-3-yl]butylamine Formula: C21H25ClN2OS MolecularWeight: 388.954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)Cl)C(=C(N2)C3=C(C=CC(=C3)SC)OC)CCCCN

Isomeric SMILES

CC1=C2C(=CC(=C1)Cl)C(=C(N2)C3=C(C=CC(=C3)SC)OC)CCCCN

InChI

InChI=1S/C21H25ClN2OS/c1-13-10-14(22)11-17-16(6-4-5-9-23)21(24-20(13)17)18-12-15(26-3)7-8-19(18)25-2/h7-8,10-12,24H,4-6,9,23H2,1-3H3