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

Systemtic Name: 2-[[4-azanyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-amino-5-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-amino-5-(1-methyl-4-pyrazolyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-amino-5-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-amino-5-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C8H10N6O2S MolecularWeight: 254.269

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C2=NN=C(N2N)SCC(=O)O

Isomeric SMILES

CN1C=C(C=N1)C2=NN=C(N2N)SCC(=O)O

InChI

InChI=1S/C8H10N6O2S/c1-13-3-5(2-10-13)7-11-12-8(14(7)9)17-4-6(15)16/h2-3H,4,9H2,1H3,(H,15,16)