3-chloranyl-4-[4-methyl-5-oxidanylidene-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenecarbonitrile

Systemtic Name: 3-chloranyl-4-[4-methyl-5-oxidanylidene-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenecarbonitrile Openeye Name: 3-chloro-4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzonitrile CAS Name: 3-chloro-4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzonitrile IUPAC Name: 3-chloro-4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzonitrile Traditional Name: 3-chloro-4-[5-keto-4-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzonitrile Formula: C11H6ClF3N4O MolecularWeight: 302.63975

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H6ClF3N4O/c1-18-9(11(13,14)15)17-19(10(18)20)8-3-2-6(5-16)4-7(8)12/h2-4H,1H3