1-[4-ethoxy-3-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone

Systemtic Name: 1-[4-ethoxy-3-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone Openeye Name: 1-[4-ethoxy-3-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone CAS Name: 1-[4-ethoxy-3-[[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]phenyl]ethanone IUPAC Name: 1-[4-ethoxy-3-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone Traditional Name: 1-[4-ethoxy-3-[[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]phenyl]ethanone Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C(C=CC(=C2)C(=O)C)OCC)C3=CC=C(C=C3)OC

Isomeric SMILES

CCN1C(=NN=C1SCC2=C(C=CC(=C2)C(=O)C)OCC)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H25N3O3S/c1-5-25-21(16-7-10-19(27-4)11-8-16)23-24-22(25)29-14-18-13-17(15(3)26)9-12-20(18)28-6-2/h7-13H,5-6,14H2,1-4H3