2-[[5-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)ethanamide

Systemtic Name: 2-[[5-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)ethanamide Openeye Name: 2-[[5-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide CAS Name: 2-[[5-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(2-fluorophenyl)acetamide IUPAC Name: 2-[[5-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide Traditional Name: 2-[[5-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(2-fluorophenyl)acetamide Formula: C21H23FN4O2S MolecularWeight: 414.496323

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2F)COC3=C(C=CC=C3C)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2F)COC3=C(C=CC=C3C)C

InChI

InChI=1S/C21H23FN4O2S/c1-4-26-18(12-28-20-14(2)8-7-9-15(20)3)24-25-21(26)29-13-19(27)23-17-11-6-5-10-16(17)22/h5-11H,4,12-13H2,1-3H3,(H,23,27)