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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2CCCCN)C3=C(C=CC(=C3)SC)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2CCCCN)C3=C(C=CC(=C3)SC)OC

InChI

InChI=1S/C21H26N2OS/c1-14-7-9-19-17(12-14)16(6-4-5-11-22)21(23-19)18-13-15(25-3)8-10-20(18)24-2/h7-10,12-13,23H,4-6,11,22H2,1-3H3