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

Systemtic Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4,5-trimethoxyphenyl)ethanone Openeye Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4,5-trimethoxyphenyl)ethanone CAS Name: 2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-(3,4,5-trimethoxyphenyl)ethanone IUPAC Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4,5-trimethoxyphenyl)ethanone Traditional Name: 2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-(3,4,5-trimethoxyphenyl)ethanone Formula: C14H17N3O4S MolecularWeight: 323.36748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O4S/c1-17-8-15-16-14(17)22-7-10(18)9-5-11(19-2)13(21-4)12(6-9)20-3/h5-6,8H,7H2,1-4H3