4-[2-(2-methylsulfanylphenyl)-5-phenoxy-1H-indol-3-yl]butan-1-amine

Systemtic Name: 4-[2-(2-methylsulfanylphenyl)-5-phenoxy-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[2-(2-methylsulfanylphenyl)-5-phenoxy-1H-indol-3-yl]butan-1-amine CAS Name: 4-[2-[2-(methylthio)phenyl]-5-phenoxy-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[2-(2-methylsulfanylphenyl)-5-phenoxy-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[2-[2-(methylthio)phenyl]-5-phenoxy-1H-indol-3-yl]butylamine Formula: C25H26N2OS MolecularWeight: 402.55174

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C2=C(C3=C(N2)C=CC(=C3)OC4=CC=CC=C4)CCCCN

Isomeric SMILES

CSC1=CC=CC=C1C2=C(C3=C(N2)C=CC(=C3)OC4=CC=CC=C4)CCCCN

InChI

InChI=1S/C25H26N2OS/c1-29-24-13-6-5-12-21(24)25-20(11-7-8-16-26)22-17-19(14-15-23(22)27-25)28-18-9-3-2-4-10-18/h2-6,9-10,12-15,17,27H,7-8,11,16,26H2,1H3