1-(2,5-dimethoxyphenyl)-2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(2,5-dimethoxyphenyl)-2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(2,5-dimethoxyphenyl)-2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(2,5-dimethoxyphenyl)-2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(2,5-dimethoxyphenyl)-2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(2,5-dimethoxyphenyl)-2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=C(C=CC(=C2)OC)OC)COC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=C(C=CC(=C2)OC)OC)COC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O4S/c1-23-19(12-27-14-7-5-4-6-8-14)21-22-20(23)28-13-17(24)16-11-15(25-2)9-10-18(16)26-3/h4-11H,12-13H2,1-3H3