6-cyclopropyl-2-ethylsulfanyl-5-[4-(1H-indol-4-yl)piperazin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 6-cyclopropyl-2-ethylsulfanyl-5-[4-(1H-indol-4-yl)piperazin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-cyclopropyl-2-ethylsulfanyl-5-[4-(1H-indol-4-yl)piperazin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-cyclopropyl-2-(ethylthio)-5-[4-(1H-indol-4-yl)-1-piperazinyl]-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-cyclopropyl-2-ethylsulfanyl-5-[4-(1H-indol-4-yl)piperazin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-cyclopropyl-2-(ethylthio)-5-[4-(1H-indol-4-yl)piperazino]-4-(trifluoromethyl)nicotinonitrile Formula: C24H24F3N5S MolecularWeight: 471.54107

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(=C(C(=C1C#N)C(F)(F)F)N2CCN(CC2)C3=CC=CC4=C3C=CN4)C5CC5

Isomeric SMILES

CCSC1=NC(=C(C(=C1C#N)C(F)(F)F)N2CCN(CC2)C3=CC=CC4=C3C=CN4)C5CC5

InChI

InChI=1S/C24H24F3N5S/c1-2-33-23-17(14-28)20(24(25,26)27)22(21(30-23)15-6-7-15)32-12-10-31(11-13-32)19-5-3-4-18-16(19)8-9-29-18/h3-5,8-9,15,29H,2,6-7,10-13H2,1H3