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

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-[[5-[(2,6-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-[[5-[(2,6-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-[[5-[(2,6-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-[[5-[(2,6-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-[[5-[(2,6-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H20BrFN4O2S MolecularWeight: 479.365803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC2=NN=C(N2C)SCC(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC2=NN=C(N2C)SCC(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C20H20BrFN4O2S/c1-12-5-4-6-13(2)19(12)28-10-17-24-25-20(26(17)3)29-11-18(27)23-16-8-7-14(21)9-15(16)22/h4-9H,10-11H2,1-3H3,(H,23,27)