2-[[5-(2,4-dichlorophenyl)-4-(2,6-diethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[3-(trifluoromethyl)phenyl]ethanone

Systemtic Name: 2-[[5-(2,4-dichlorophenyl)-4-(2,6-diethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[3-(trifluoromethyl)phenyl]ethanone Openeye Name: 2-[[5-(2,4-dichlorophenyl)-4-(2,6-diethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[3-(trifluoromethyl)phenyl]ethanone CAS Name: 2-[[5-(2,4-dichlorophenyl)-4-(2,6-diethylphenyl)-1,2,4-triazol-3-yl]thio]-1-[3-(trifluoromethyl)phenyl]ethanone IUPAC Name: 2-[[5-(2,4-dichlorophenyl)-4-(2,6-diethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[3-(trifluoromethyl)phenyl]ethanone Traditional Name: 2-[[5-(2,4-dichlorophenyl)-4-(2,6-diethylphenyl)-1,2,4-triazol-3-yl]thio]-1-[3-(trifluoromethyl)phenyl]ethanone Formula: C27H22Cl2F3N3OS MolecularWeight: 564.44929

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=NN=C2SCC(=O)C3=CC(=CC=C3)C(F)(F)F)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=NN=C2SCC(=O)C3=CC(=CC=C3)C(F)(F)F)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C27H22Cl2F3N3OS/c1-3-16-7-5-8-17(4-2)24(16)35-25(21-12-11-20(28)14-22(21)29)33-34-26(35)37-15-23(36)18-9-6-10-19(13-18)27(30,31)32/h5-14H,3-4,15H2,1-2H3