3-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methyl-1,2,3-triazol-4-yl]-1-(2-chlorophenyl)prop-2-yn-1-one

Systemtic Name: 3-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methyl-1,2,3-triazol-4-yl]-1-(2-chlorophenyl)prop-2-yn-1-one Openeye Name: 3-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methyl-triazol-4-yl]-1-(2-chlorophenyl)prop-2-yn-1-one CAS Name: 3-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methyl-4-triazolyl]-1-(2-chlorophenyl)-2-propyn-1-one IUPAC Name: 3-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methyltriazol-4-yl]-1-(2-chlorophenyl)prop-2-yn-1-one Traditional Name: 3-[1-[3,5-bis(trifluoromethyl)benzyl]-5-methyl-triazol-4-yl]-1-(2-chlorophenyl)prop-2-yn-1-one Formula: C21H12ClF6N3O MolecularWeight: 471.782899

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NN1CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C#CC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CC1=C(N=NN1CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C#CC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H12ClF6N3O/c1-12-18(6-7-19(32)16-4-2-3-5-17(16)22)29-30-31(12)11-13-8-14(20(23,24)25)10-15(9-13)21(26,27)28/h2-5,8-10H,11H2,1H3