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

Systemtic Name: 2,5-bis(fluoranyl)-4-[3-methyl-5-oxidanylidene-4-(propan-2-ylamino)-1,2,4-triazol-1-yl]benzenecarbonitrile Openeye Name: 2,5-difluoro-4-[4-(isopropylamino)-3-methyl-5-oxo-1,2,4-triazol-1-yl]benzonitrile CAS Name: 2,5-difluoro-4-[3-methyl-5-oxo-4-(propan-2-ylamino)-1,2,4-triazol-1-yl]benzonitrile IUPAC Name: 2,5-difluoro-4-[3-methyl-5-oxo-4-(propan-2-ylamino)-1,2,4-triazol-1-yl]benzonitrile Traditional Name: 2,5-difluoro-4-[4-(isopropylamino)-5-keto-3-methyl-1,2,4-triazol-1-yl]benzonitrile Formula: C13H13F2N5O MolecularWeight: 293.272026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)N1NC(C)C)C2=C(C=C(C(=C2)F)C#N)F

Isomeric SMILES

CC1=NN(C(=O)N1NC(C)C)C2=C(C=C(C(=C2)F)C#N)F

InChI

InChI=1S/C13H13F2N5O/c1-7(2)17-19-8(3)18-20(13(19)21)12-5-10(14)9(6-16)4-11(12)15/h4-5,7,17H,1-3H3