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

Systemtic Name: 2-[[4-(2,5-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(2,5-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(2,5-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(2,5-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(2,5-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC(=O)O)C

InChI

InChI=1S/C13H15N3O2S/c1-8-4-5-9(2)11(6-8)16-10(3)14-15-13(16)19-7-12(17)18/h4-6H,7H2,1-3H3,(H,17,18)