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

Systemtic Name: 3-isoquinolin-1-yl-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione Openeye Name: 3-(1-isoquinolyl)-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-(1-isoquinolinyl)-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-isoquinolin-1-yl-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione Traditional Name: 3-(1-isoquinolyl)-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione Formula: C18H11F3N4S MolecularWeight: 372.36695

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H11F3N4S/c19-18(20,21)12-5-3-6-13(10-12)25-16(23-24-17(25)26)15-14-7-2-1-4-11(14)8-9-22-15/h1-10H,(H,24,26)