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

Systemtic Name: 4-[2-(2-methoxy-5-methylsulfanyl-phenyl)-7-methyl-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[2-(2-methoxy-5-methylsulfanyl-phenyl)-7-methyl-1H-indol-3-yl]butan-1-amine CAS Name: 4-[2-[2-methoxy-5-(methylthio)phenyl]-7-methyl-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[2-(2-methoxy-5-methylsulfanylphenyl)-7-methyl-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[2-[2-methoxy-5-(methylthio)phenyl]-7-methyl-1H-indol-3-yl]butylamine Formula: C21H26N2OS MolecularWeight: 354.50894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=C2CCCCN)C3=C(C=CC(=C3)SC)OC

Isomeric SMILES

CC1=CC=CC2=C1NC(=C2CCCCN)C3=C(C=CC(=C3)SC)OC

InChI

InChI=1S/C21H26N2OS/c1-14-7-6-9-16-17(8-4-5-12-22)21(23-20(14)16)18-13-15(25-3)10-11-19(18)24-2/h6-7,9-11,13,23H,4-5,8,12,22H2,1-3H3