1-[2,6-bis(fluoranyl)phenyl]-2-[[5-[(4-tert-butylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-[2,6-bis(fluoranyl)phenyl]-2-[[5-[(4-tert-butylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[[4-allyl-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(2,6-difluorophenyl)ethanone CAS Name: 2-[[5-[(4-tert-butylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-(2,6-difluorophenyl)ethanone IUPAC Name: 2-[[5-[(4-tert-butylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2,6-difluorophenyl)ethanone Traditional Name: 2-[[4-allyl-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-1-(2,6-difluorophenyl)ethanone Formula: C24H25F2N3O2S MolecularWeight: 457.536006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCC(=O)C3=C(C=CC=C3F)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCC(=O)C3=C(C=CC=C3F)F

InChI

InChI=1S/C24H25F2N3O2S/c1-5-13-29-21(14-31-17-11-9-16(10-12-17)24(2,3)4)27-28-23(29)32-15-20(30)22-18(25)7-6-8-19(22)26/h5-12H,1,13-15H2,2-4H3