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

Systemtic Name: 2-[[4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O2S/c1-8-3-4-9(2)10(5-8)15-7-13-14-12(15)18-6-11(16)17/h3-5,7H,6H2,1-2H3,(H,16,17)