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

Systemtic Name: 1-[4-ethoxy-3-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone Openeye Name: 1-[4-ethoxy-3-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone CAS Name: 1-[4-ethoxy-3-[[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]phenyl]ethanone IUPAC Name: 1-[4-ethoxy-3-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone Traditional Name: 1-[4-ethoxy-3-[[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]methyl]phenyl]ethanone Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C(C=CC(=C2)C(=O)C)OCC)C3=CC=CC=C3C

Isomeric SMILES

CCN1C(=NN=C1SCC2=C(C=CC(=C2)C(=O)C)OCC)C3=CC=CC=C3C

InChI

InChI=1S/C22H25N3O2S/c1-5-25-21(19-10-8-7-9-15(19)3)23-24-22(25)28-14-18-13-17(16(4)26)11-12-20(18)27-6-2/h7-13H,5-6,14H2,1-4H3