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

Systemtic Name: 3-[2-(4-fluorophenyl)sulfonylethylsulfanyl]-4-phenyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(4-fluorophenyl)sulfonylethylsulfanyl]-4-phenyl-1H-1,2,4-triazol-5-one CAS Name: 3-[2-(4-fluorophenyl)sulfonylethylthio]-4-phenyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(4-fluorophenyl)sulfonylethylsulfanyl]-4-phenyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[2-(4-fluorophenyl)sulfonylethylthio]-4-phenyl-1H-1,2,4-triazol-5-one Formula: C16H14FN3O3S2 MolecularWeight: 379.429063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14FN3O3S2/c17-12-6-8-14(9-7-12)25(22,23)11-10-24-16-19-18-15(21)20(16)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,18,21)