5-[bis(fluoranyl)methyl]-2-(3-methoxyphenyl)-1H-1,2,4-triazol-3-one

Systemtic Name: 5-[bis(fluoranyl)methyl]-2-(3-methoxyphenyl)-1H-1,2,4-triazol-3-one Openeye Name: 5-(difluoromethyl)-2-(3-methoxyphenyl)-1H-1,2,4-triazol-3-one CAS Name: 5-(difluoromethyl)-2-(3-methoxyphenyl)-1H-1,2,4-triazol-3-one IUPAC Name: 5-(difluoromethyl)-2-(3-methoxyphenyl)-1H-1,2,4-triazol-3-one Traditional Name: 5-(difluoromethyl)-2-(3-methoxyphenyl)-1H-1,2,4-triazol-3-one Formula: C10H9F2N3O2 MolecularWeight: 241.194166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)N=C(N2)C(F)F

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)N=C(N2)C(F)F

InChI

InChI=1S/C10H9F2N3O2/c1-17-7-4-2-3-6(5-7)15-10(16)13-9(14-15)8(11)12/h2-5,8H,1H3,(H,13,14,16)