2-[[4-azanyl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-azanyl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-amino-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-amino-5-(1,3,5-trimethyl-4-pyrazolyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-amino-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-amino-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-triazol-3-yl]thio]acetate Formula: C10H13N6O2S- MolecularWeight: 281.31422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C2=NN=C(N2N)SCC(=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C)C)C2=NN=C(N2N)SCC(=O)[O-]

InChI

InChI=1S/C10H14N6O2S/c1-5-8(6(2)15(3)14-5)9-12-13-10(16(9)11)19-4-7(17)18/h4,11H2,1-3H3,(H,17,18)/p-1