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

Systemtic Name: 2-[[4-(1-methylpyrazol-4-yl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(1-methylpyrazol-4-yl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(1-methyl-4-pyrazolyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(1-methylpyrazol-4-yl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(1-methylpyrazol-4-yl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C12H11N5O2S2 MolecularWeight: 321.37804

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)N2C(=NN=C2SCC(=O)O)C3=CC=CS3

Isomeric SMILES

CN1C=C(C=N1)N2C(=NN=C2SCC(=O)O)C3=CC=CS3

InChI

InChI=1S/C12H11N5O2S2/c1-16-6-8(5-13-16)17-11(9-3-2-4-20-9)14-15-12(17)21-7-10(18)19/h2-6H,7H2,1H3,(H,18,19)