3-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-chloranyl-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-chloranyl-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-chloro-triazol-4-yl]-1-(2-chlorophenyl)prop-2-yn-1-one CAS Name: 3-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-chloro-4-triazolyl]-1-(2-chlorophenyl)-2-propyn-1-one IUPAC Name: 3-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-chlorotriazol-4-yl]-1-(2-chlorophenyl)prop-2-yn-1-one Traditional Name: 3-[1-[3,5-bis(trifluoromethyl)benzyl]-5-chloro-triazol-4-yl]-1-(2-chlorophenyl)prop-2-yn-1-one Formula: C20H9Cl2F6N3O MolecularWeight: 492.201379

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C#CC2=C(N(N=N2)CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)Cl)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C#CC2=C(N(N=N2)CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)Cl)Cl

InChI

InChI=1S/C20H9Cl2F6N3O/c21-15-4-2-1-3-14(15)17(32)6-5-16-18(22)31(30-29-16)10-11-7-12(19(23,24)25)9-13(8-11)20(26,27)28/h1-4,7-9H,10H2