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

Systemtic Name: 4-[bis(fluoranyl)methyl]-2-(3-iodanylphenyl)-5-methyl-1,2,4-triazol-3-one Openeye Name: 4-(difluoromethyl)-2-(3-iodophenyl)-5-methyl-1,2,4-triazol-3-one CAS Name: 4-(difluoromethyl)-2-(3-iodophenyl)-5-methyl-1,2,4-triazol-3-one IUPAC Name: 4-(difluoromethyl)-2-(3-iodophenyl)-5-methyl-1,2,4-triazol-3-one Traditional Name: 4-(difluoromethyl)-2-(3-iodophenyl)-5-methyl-1,2,4-triazol-3-one Formula: C10H8F2IN3O MolecularWeight: 351.091296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)N1C(F)F)C2=CC(=CC=C2)I

Isomeric SMILES

CC1=NN(C(=O)N1C(F)F)C2=CC(=CC=C2)I

InChI

InChI=1S/C10H8F2IN3O/c1-6-14-16(10(17)15(6)9(11)12)8-4-2-3-7(13)5-8/h2-5,9H,1H3