5-fluoranyl-4-(5-methyl-3-oxidanylidene-1H-1,2,4-triazol-2-yl)-2-propan-2-yloxy-benzenecarbonitrile

Systemtic Name: 5-fluoranyl-4-(5-methyl-3-oxidanylidene-1H-1,2,4-triazol-2-yl)-2-propan-2-yloxy-benzenecarbonitrile Openeye Name: 5-fluoro-2-isopropoxy-4-(5-methyl-3-oxo-1H-1,2,4-triazol-2-yl)benzonitrile CAS Name: 5-fluoro-4-(5-methyl-3-oxo-1H-1,2,4-triazol-2-yl)-2-propan-2-yloxybenzonitrile IUPAC Name: 5-fluoro-4-(5-methyl-3-oxo-1H-1,2,4-triazol-2-yl)-2-propan-2-yloxybenzonitrile Traditional Name: 5-fluoro-2-isopropoxy-4-(3-keto-5-methyl-1H-1,2,4-triazol-2-yl)benzonitrile Formula: C13H13FN4O2 MolecularWeight: 276.266323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)N(N1)C2=C(C=C(C(=C2)OC(C)C)C#N)F

Isomeric SMILES

CC1=NC(=O)N(N1)C2=C(C=C(C(=C2)OC(C)C)C#N)F

InChI

InChI=1S/C13H13FN4O2/c1-7(2)20-12-5-11(10(14)4-9(12)6-15)18-13(19)16-8(3)17-18/h4-5,7H,1-3H3,(H,16,17,19)