1-[3-(3,4-dimethoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]ethanone

Systemtic Name: 1-[3-(3,4-dimethoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]ethanone Openeye Name: 1-[3-(3,4-dimethoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]ethanone CAS Name: 1-[3-(3,4-dimethoxyphenyl)-5-(methylthio)-1,2,4-triazol-1-yl]ethanone IUPAC Name: 1-[3-(3,4-dimethoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]ethanone Traditional Name: 1-[3-(3,4-dimethoxyphenyl)-5-(methylthio)-1,2,4-triazol-1-yl]ethanone Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(=NC(=N1)C2=CC(=C(C=C2)OC)OC)SC

Isomeric SMILES

CC(=O)N1C(=NC(=N1)C2=CC(=C(C=C2)OC)OC)SC

InChI

InChI=1S/C13H15N3O3S/c1-8(17)16-13(20-4)14-12(15-16)9-5-6-10(18-2)11(7-9)19-3/h5-7H,1-4H3