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

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

CC1=NN(C(=O)N1N(C)C)C2=C(C=C(C(=C2)F)C#N)F

Isomeric SMILES

CC1=NN(C(=O)N1N(C)C)C2=C(C=C(C(=C2)F)C#N)F

InChI

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