4-(4-ethanoyl-5-methyl-1,2,3-triazol-1-yl)-3-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 4-(4-ethanoyl-5-methyl-1,2,3-triazol-1-yl)-3-(trifluoromethyl)benzenecarbonitrile Openeye Name: 4-(4-acetyl-5-methyl-triazol-1-yl)-3-(trifluoromethyl)benzonitrile CAS Name: 4-(4-acetyl-5-methyl-1-triazolyl)-3-(trifluoromethyl)benzonitrile IUPAC Name: 4-(4-acetyl-5-methyltriazol-1-yl)-3-(trifluoromethyl)benzonitrile Traditional Name: 4-(4-acetyl-5-methyl-triazol-1-yl)-3-(trifluoromethyl)benzonitrile Formula: C13H9F3N4O MolecularWeight: 294.23197

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NN1C2=C(C=C(C=C2)C#N)C(F)(F)F)C(=O)C

Isomeric SMILES

CC1=C(N=NN1C2=C(C=C(C=C2)C#N)C(F)(F)F)C(=O)C

InChI

InChI=1S/C13H9F3N4O/c1-7-12(8(2)21)18-19-20(7)11-4-3-9(6-17)5-10(11)13(14,15)16/h3-5H,1-2H3