4-[3-(dimethylamino)-4-methyl-5-oxidanylidene-1,2,4-triazol-1-yl]-2,5-bis(fluoranyl)benzenecarbonitrile

Systemtic Name: 4-[3-(dimethylamino)-4-methyl-5-oxidanylidene-1,2,4-triazol-1-yl]-2,5-bis(fluoranyl)benzenecarbonitrile Openeye Name: 4-[3-(dimethylamino)-4-methyl-5-oxo-1,2,4-triazol-1-yl]-2,5-difluoro-benzonitrile CAS Name: 4-[3-(dimethylamino)-4-methyl-5-oxo-1,2,4-triazol-1-yl]-2,5-difluorobenzonitrile IUPAC Name: 4-[3-(dimethylamino)-4-methyl-5-oxo-1,2,4-triazol-1-yl]-2,5-difluorobenzonitrile Traditional Name: 4-[3-(dimethylamino)-5-keto-4-methyl-1,2,4-triazol-1-yl]-2,5-difluoro-benzonitrile Formula: C12H11F2N5O MolecularWeight: 279.245446

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=O)C2=C(C=C(C(=C2)F)C#N)F)N(C)C

Isomeric SMILES

CN1C(=NN(C1=O)C2=C(C=C(C(=C2)F)C#N)F)N(C)C

InChI

InChI=1S/C12H11F2N5O/c1-17(2)11-16-19(12(20)18(11)3)10-5-8(13)7(6-15)4-9(10)14/h4-5H,1-3H3