4-cyclopropyl-3-[(5-fluoranylquinolin-8-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one

Systemtic Name: 4-cyclopropyl-3-[(5-fluoranylquinolin-8-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-cyclopropyl-3-[(5-fluoro-8-quinolyl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-cyclopropyl-3-[(5-fluoro-8-quinolinyl)methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-cyclopropyl-3-[(5-fluoroquinolin-8-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-cyclopropyl-3-[(5-fluoro-8-quinolyl)methylthio]-1H-1,2,4-triazol-5-one Formula: C15H13FN4OS MolecularWeight: 316.353323

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)NN=C2SCC3=C4C(=C(C=C3)F)C=CC=N4

Isomeric SMILES

C1CC1N2C(=O)NN=C2SCC3=C4C(=C(C=C3)F)C=CC=N4

InChI

InChI=1S/C15H13FN4OS/c16-12-6-3-9(13-11(12)2-1-7-17-13)8-22-15-19-18-14(21)20(15)10-4-5-10/h1-3,6-7,10H,4-5,8H2,(H,18,21)