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

Systemtic Name: 3-[4-(cyclopropylamino)-8-(trifluoromethyl)quinolin-3-yl]-4-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[4-(cyclopropylamino)-8-(trifluoromethyl)-3-quinolyl]-4-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[4-(cyclopropylamino)-8-(trifluoromethyl)-3-quinolinyl]-4-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[4-(cyclopropylamino)-8-(trifluoromethyl)quinolin-3-yl]-4-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-[4-(cyclopropylamino)-8-(trifluoromethyl)-3-quinolyl]-4-phenyl-1H-1,2,4-triazole-5-thione Formula: C21H16F3N5S MolecularWeight: 427.44545

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C3C=CC=C(C3=NC=C2C4=NNC(=S)N4C5=CC=CC=C5)C(F)(F)F

Isomeric SMILES

C1CC1NC2=C3C=CC=C(C3=NC=C2C4=NNC(=S)N4C5=CC=CC=C5)C(F)(F)F

InChI

InChI=1S/C21H16F3N5S/c22-21(23,24)16-8-4-7-14-17(26-12-9-10-12)15(11-25-18(14)16)19-27-28-20(30)29(19)13-5-2-1-3-6-13/h1-8,11-12H,9-10H2,(H,25,26)(H,28,30)