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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCC(=O)O)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CN1C(=NN=C1SCCC(=O)O)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C14H17N3O4S/c1-17-13(15-16-14(17)22-7-6-12(18)19)9-4-5-10(20-2)11(8-9)21-3/h4-5,8H,6-7H2,1-3H3,(H,18,19)