3-[4-(4-cyclohexylpiperazin-1-yl)-8-(trifluoromethyl)quinolin-3-yl]-4-phenyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[4-(4-cyclohexylpiperazin-1-yl)-8-(trifluoromethyl)quinolin-3-yl]-4-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[4-(4-cyclohexylpiperazin-1-yl)-8-(trifluoromethyl)-3-quinolyl]-4-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[4-(4-cyclohexyl-1-piperazinyl)-8-(trifluoromethyl)-3-quinolinyl]-4-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[4-(4-cyclohexylpiperazin-1-yl)-8-(trifluoromethyl)quinolin-3-yl]-4-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-[4-(4-cyclohexylpiperazino)-8-(trifluoromethyl)-3-quinolyl]-4-phenyl-1H-1,2,4-triazole-5-thione Formula: C28H29F3N6S MolecularWeight: 538.63027

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C3=C4C=CC=C(C4=NC=C3C5=NNC(=S)N5C6=CC=CC=C6)C(F)(F)F

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C3=C4C=CC=C(C4=NC=C3C5=NNC(=S)N5C6=CC=CC=C6)C(F)(F)F

InChI

InChI=1S/C28H29F3N6S/c29-28(30,31)23-13-7-12-21-24(23)32-18-22(26-33-34-27(38)37(26)20-10-5-2-6-11-20)25(21)36-16-14-35(15-17-36)19-8-3-1-4-9-19/h2,5-7,10-13,18-19H,1,3-4,8-9,14-17H2,(H,34,38)