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

Systemtic Name: 3-azanyl-4-[3-[bis(fluoranyl)methyl]-4-methyl-5-oxidanylidene-1,2,4-triazol-1-yl]benzenecarbonitrile Openeye Name: 3-amino-4-[3-(difluoromethyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]benzonitrile CAS Name: 3-amino-4-[3-(difluoromethyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]benzonitrile IUPAC Name: 3-amino-4-[3-(difluoromethyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]benzonitrile Traditional Name: 3-amino-4-[3-(difluoromethyl)-5-keto-4-methyl-1,2,4-triazol-1-yl]benzonitrile Formula: C11H9F2N5O MolecularWeight: 265.218866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9F2N5O/c1-17-10(9(12)13)16-18(11(17)19)8-3-2-6(5-14)4-7(8)15/h2-4,9H,15H2,1H3