4-[4-chloranyl-2-dibenzothiophen-2-yl-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine

Systemtic Name: 4-[4-chloranyl-2-dibenzothiophen-2-yl-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[4-chloro-2-dibenzothiophen-2-yl-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[4-chloro-2-(2-dibenzothiophenyl)-7-(trifluoromethyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[4-chloro-2-dibenzothiophen-2-yl-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[4-chloro-2-dibenzothiophen-2-yl-7-(trifluoromethyl)-1H-indol-3-yl]butylamine Formula: C25H20ClF3N2S MolecularWeight: 472.95291

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(S2)C=CC(=C3)C4=C(C5=C(C=CC(=C5N4)C(F)(F)F)Cl)CCCCN

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(S2)C=CC(=C3)C4=C(C5=C(C=CC(=C5N4)C(F)(F)F)Cl)CCCCN

InChI

InChI=1S/C25H20ClF3N2S/c26-19-10-9-18(25(27,28)29)24-22(19)16(6-3-4-12-30)23(31-24)14-8-11-21-17(13-14)15-5-1-2-7-20(15)32-21/h1-2,5,7-11,13,31H,3-4,6,12,30H2