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

Systemtic Name: 2-[[4-azanyl-5-(1,5-dimethylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-amino-5-(1,5-dimethylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-amino-5-(1,5-dimethyl-4-pyrazolyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-amino-5-(1,5-dimethylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-amino-5-(1,5-dimethylpyrazol-4-yl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C9H12N6O2S MolecularWeight: 268.29558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)C2=NN=C(N2N)SCC(=O)O

Isomeric SMILES

CC1=C(C=NN1C)C2=NN=C(N2N)SCC(=O)O

InChI

InChI=1S/C9H12N6O2S/c1-5-6(3-11-14(5)2)8-12-13-9(15(8)10)18-4-7(16)17/h3H,4,10H2,1-2H3,(H,16,17)