1-[4-[bis(fluoranyl)methoxy]phenyl]-2-[[5-(2-chlorophenyl)-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-[4-[bis(fluoranyl)methoxy]phenyl]-2-[[5-(2-chlorophenyl)-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[[5-(2-chlorophenyl)-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(difluoromethoxy)phenyl]ethanone CAS Name: 2-[[5-(2-chlorophenyl)-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]thio]-1-[4-(difluoromethoxy)phenyl]ethanone IUPAC Name: 2-[[5-(2-chlorophenyl)-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(difluoromethoxy)phenyl]ethanone Traditional Name: 2-[[5-(2-chlorophenyl)-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]thio]-1-[4-(difluoromethoxy)phenyl]ethanone Formula: C25H20ClF2N3O2S MolecularWeight: 499.960006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)OC(F)F)C4=CC=CC=C4Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)OC(F)F)C4=CC=CC=C4Cl

InChI

InChI=1S/C25H20ClF2N3O2S/c1-15-7-8-16(2)21(13-15)31-23(19-5-3-4-6-20(19)26)29-30-25(31)34-14-22(32)17-9-11-18(12-10-17)33-24(27)28/h3-13,24H,14H2,1-2H3