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

Systemtic Name: 4-phenyl-3-[4-(4-propan-2-ylpiperazin-1-yl)-8-(trifluoromethyl)quinolin-3-yl]-1H-1,2,4-triazole-5-thione Openeye Name: 3-[4-(4-isopropylpiperazin-1-yl)-8-(trifluoromethyl)-3-quinolyl]-4-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 4-phenyl-3-[4-(4-propan-2-yl-1-piperazinyl)-8-(trifluoromethyl)-3-quinolinyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-phenyl-3-[4-(4-propan-2-ylpiperazin-1-yl)-8-(trifluoromethyl)quinolin-3-yl]-1H-1,2,4-triazole-5-thione Traditional Name: 3-[4-(4-isopropylpiperazino)-8-(trifluoromethyl)-3-quinolyl]-4-phenyl-1H-1,2,4-triazole-5-thione Formula: C25H25F3N6S MolecularWeight: 498.56641

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)C2=C3C=CC=C(C3=NC=C2C4=NNC(=S)N4C5=CC=CC=C5)C(F)(F)F

Isomeric SMILES

CC(C)N1CCN(CC1)C2=C3C=CC=C(C3=NC=C2C4=NNC(=S)N4C5=CC=CC=C5)C(F)(F)F

InChI

InChI=1S/C25H25F3N6S/c1-16(2)32-11-13-33(14-12-32)22-18-9-6-10-20(25(26,27)28)21(18)29-15-19(22)23-30-31-24(35)34(23)17-7-4-3-5-8-17/h3-10,15-16H,11-14H2,1-2H3,(H,31,35)