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

Systemtic Name: 2-[[4-(3,4-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(3,4-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(3,4-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(3,4-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(3,4-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C13H15N3O4S MolecularWeight: 309.3409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC(=C(C=C2)OC)OC)SCC(=O)O

Isomeric SMILES

CC1=NN=C(N1C2=CC(=C(C=C2)OC)OC)SCC(=O)O

InChI

InChI=1S/C13H15N3O4S/c1-8-14-15-13(21-7-12(17)18)16(8)9-4-5-10(19-2)11(6-9)20-3/h4-6H,7H2,1-3H3,(H,17,18)