4-[bis(fluoranyl)methyl]-2-methylsulfonyl-1,2,4-triazol-3-one

Systemtic Name: 4-[bis(fluoranyl)methyl]-2-methylsulfonyl-1,2,4-triazol-3-one Openeye Name: 4-(difluoromethyl)-2-methylsulfonyl-1,2,4-triazol-3-one CAS Name: 4-(difluoromethyl)-2-methylsulfonyl-1,2,4-triazol-3-one IUPAC Name: 4-(difluoromethyl)-2-methylsulfonyl-1,2,4-triazol-3-one Traditional Name: 4-(difluoromethyl)-2-mesyl-1,2,4-triazol-3-one Formula: C4H5F2N3O3S MolecularWeight: 213.162606

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1C(=O)N(C=N1)C(F)F

Isomeric SMILES

CS(=O)(=O)N1C(=O)N(C=N1)C(F)F

InChI

InChI=1S/C4H5F2N3O3S/c1-13(11,12)9-4(10)8(2-7-9)3(5)6/h2-3H,1H3