2,5-bis(fluoranyl)-4-(3-methyl-5-oxidanylidene-4-prop-2-ynyl-1,2,4-triazol-1-yl)benzenecarbonitrile

Systemtic Name: 2,5-bis(fluoranyl)-4-(3-methyl-5-oxidanylidene-4-prop-2-ynyl-1,2,4-triazol-1-yl)benzenecarbonitrile Openeye Name: 2,5-difluoro-4-(3-methyl-5-oxo-4-prop-2-ynyl-1,2,4-triazol-1-yl)benzonitrile CAS Name: 2,5-difluoro-4-(3-methyl-5-oxo-4-prop-2-ynyl-1,2,4-triazol-1-yl)benzonitrile IUPAC Name: 2,5-difluoro-4-(3-methyl-5-oxo-4-prop-2-ynyl-1,2,4-triazol-1-yl)benzonitrile Traditional Name: 2,5-difluoro-4-(5-keto-3-methyl-4-propargyl-1,2,4-triazol-1-yl)benzonitrile Formula: C13H8F2N4O MolecularWeight: 274.225626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)N1CC#C)C2=C(C=C(C(=C2)F)C#N)F

Isomeric SMILES

CC1=NN(C(=O)N1CC#C)C2=C(C=C(C(=C2)F)C#N)F

InChI

InChI=1S/C13H8F2N4O/c1-3-4-18-8(2)17-19(13(18)20)12-6-10(14)9(7-16)5-11(12)15/h1,5-6H,4H2,2H3