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

Systemtic Name: 2-[[4-(4-dimethylaminophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(4-dimethylaminophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(4-dimethylaminophenyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(4-dimethylaminophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(4-dimethylaminophenyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C12H14N4O2S MolecularWeight: 278.33016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N4O2S/c1-15(2)9-3-5-10(6-4-9)16-8-13-14-12(16)19-7-11(17)18/h3-6,8H,7H2,1-2H3,(H,17,18)