1-[2,5-bis(fluoranyl)phenyl]-2-[[5-[(4-chloranyl-3-methyl-phenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-[2,5-bis(fluoranyl)phenyl]-2-[[5-[(4-chloranyl-3-methyl-phenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[[5-[(4-chloro-3-methyl-phenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2,5-difluorophenyl)ethanone CAS Name: 2-[[5-[(4-chloro-3-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]-1-(2,5-difluorophenyl)ethanone IUPAC Name: 2-[[5-[(4-chloro-3-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2,5-difluorophenyl)ethanone Traditional Name: 2-[[5-[(4-chloro-3-methyl-phenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]-1-(2,5-difluorophenyl)ethanone Formula: C18H14ClF2N3O2S MolecularWeight: 409.837466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=NC(=NN2)SCC(=O)C3=C(C=CC(=C3)F)F)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=NC(=NN2)SCC(=O)C3=C(C=CC(=C3)F)F)Cl

InChI

InChI=1S/C18H14ClF2N3O2S/c1-10-6-12(3-4-14(10)19)26-8-17-22-18(24-23-17)27-9-16(25)13-7-11(20)2-5-15(13)21/h2-7H,8-9H2,1H3,(H,22,23,24)