N-[2-bromanyl-4,6-bis(fluoranyl)phenyl]-2-[[5-[(2,3-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-[2-bromanyl-4,6-bis(fluoranyl)phenyl]-2-[[5-[(2,3-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-bromo-4,6-difluoro-phenyl)-2-[[5-[(2,3-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-bromo-4,6-difluorophenyl)-2-[[5-[(2,3-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-bromo-4,6-difluorophenyl)-2-[[5-[(2,3-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-bromo-4,6-difluoro-phenyl)-2-[[5-[(2,3-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H19BrF2N4O2S MolecularWeight: 497.356266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCC2=NN=C(N2C)SCC(=O)NC3=C(C=C(C=C3Br)F)F)C

Isomeric SMILES

CC1=C(C(=CC=C1)OCC2=NN=C(N2C)SCC(=O)NC3=C(C=C(C=C3Br)F)F)C

InChI

InChI=1S/C20H19BrF2N4O2S/c1-11-5-4-6-16(12(11)2)29-9-17-25-26-20(27(17)3)30-10-18(28)24-19-14(21)7-13(22)8-15(19)23/h4-8H,9-10H2,1-3H3,(H,24,28)