4-[4-[2-butylsulfanyl-5-(trifluoromethyl)pyridin-3-yl]piperazin-1-yl]-1H-indole

Systemtic Name: 4-[4-[2-butylsulfanyl-5-(trifluoromethyl)pyridin-3-yl]piperazin-1-yl]-1H-indole Openeye Name: 4-[4-[2-butylsulfanyl-5-(trifluoromethyl)-3-pyridyl]piperazin-1-yl]-1H-indole CAS Name: 4-[4-[2-(butylthio)-5-(trifluoromethyl)-3-pyridinyl]-1-piperazinyl]-1H-indole IUPAC Name: 4-[4-[2-butylsulfanyl-5-(trifluoromethyl)pyridin-3-yl]piperazin-1-yl]-1H-indole Traditional Name: 4-[4-[2-(butylthio)-5-(trifluoromethyl)-3-pyridyl]piperazino]-1H-indole Formula: C22H25F3N4S MolecularWeight: 434.52091

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C=C(C=N1)C(F)(F)F)N2CCN(CC2)C3=CC=CC4=C3C=CN4

Isomeric SMILES

CCCCSC1=C(C=C(C=N1)C(F)(F)F)N2CCN(CC2)C3=CC=CC4=C3C=CN4

InChI

InChI=1S/C22H25F3N4S/c1-2-3-13-30-21-20(14-16(15-27-21)22(23,24)25)29-11-9-28(10-12-29)19-6-4-5-18-17(19)7-8-26-18/h4-8,14-15,26H,2-3,9-13H2,1H3