4-[2-(1-benzothiophen-2-yl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butan-1-amine

Systemtic Name: 4-[2-(1-benzothiophen-2-yl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[2-(benzothiophen-2-yl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[2-(1-benzothiophen-2-yl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[2-(1-benzothiophen-2-yl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[2-(benzothiophen-2-yl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butylamine Formula: C22H18F6N2S MolecularWeight: 456.447139

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(S2)C3=C(C4=C(C=C(C=C4N3)C(F)(F)F)C(F)(F)F)CCCCN

Isomeric SMILES

C1=CC=C2C(=C1)C=C(S2)C3=C(C4=C(C=C(C=C4N3)C(F)(F)F)C(F)(F)F)CCCCN

InChI

InChI=1S/C22H18F6N2S/c23-21(24,25)13-10-15(22(26,27)28)19-14(6-3-4-8-29)20(30-16(19)11-13)18-9-12-5-1-2-7-17(12)31-18/h1-2,5,7,9-11,30H,3-4,6,8,29H2