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

Systemtic Name: N-(2-chlorophenyl)-2-[[5-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[[5-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-chlorophenyl)-2-[[5-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[[5-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[[5-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H23ClN4O2S MolecularWeight: 430.95092

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2Cl)COC3=C(C=CC=C3C)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2Cl)COC3=C(C=CC=C3C)C

InChI

InChI=1S/C21H23ClN4O2S/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)