3-[2-(4-fluorophenyl)sulfonylethylsulfanyl]-4-pyridin-3-yl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-(4-fluorophenyl)sulfonylethylsulfanyl]-4-pyridin-3-yl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(4-fluorophenyl)sulfonylethylsulfanyl]-4-(3-pyridyl)-1H-1,2,4-triazol-5-one CAS Name: 3-[2-(4-fluorophenyl)sulfonylethylthio]-4-(3-pyridinyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(4-fluorophenyl)sulfonylethylsulfanyl]-4-pyridin-3-yl-1H-1,2,4-triazol-5-one Traditional Name: 3-[2-(4-fluorophenyl)sulfonylethylthio]-4-(3-pyridyl)-1H-1,2,4-triazol-5-one Formula: C15H13FN4O3S2 MolecularWeight: 380.417123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)N2C(=O)NN=C2SCCS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1=CC(=CN=C1)N2C(=O)NN=C2SCCS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C15H13FN4O3S2/c16-11-3-5-13(6-4-11)25(22,23)9-8-24-15-19-18-14(21)20(15)12-2-1-7-17-10-12/h1-7,10H,8-9H2,(H,18,21)