4-[3,5-bis(trifluoromethyl)phenyl]-3-isoquinolin-1-yl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[3,5-bis(trifluoromethyl)phenyl]-3-isoquinolin-1-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[3,5-bis(trifluoromethyl)phenyl]-3-(1-isoquinolyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[3,5-bis(trifluoromethyl)phenyl]-3-(1-isoquinolinyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[3,5-bis(trifluoromethyl)phenyl]-3-isoquinolin-1-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[3,5-bis(trifluoromethyl)phenyl]-3-(1-isoquinolyl)-1H-1,2,4-triazole-5-thione Formula: C19H10F6N4S MolecularWeight: 440.364919

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2C3=NNC(=S)N3C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2C3=NNC(=S)N3C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C19H10F6N4S/c20-18(21,22)11-7-12(19(23,24)25)9-13(8-11)29-16(27-28-17(29)30)15-14-4-2-1-3-10(14)5-6-26-15/h1-9H,(H,28,30)