2-[1-(1-methylpyrazol-4-yl)imidazol-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-(1-methylpyrazol-4-yl)imidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-(1-methylpyrazol-4-yl)imidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[1-(1-methyl-4-pyrazolyl)-2-imidazolyl]thio]acetic acid IUPAC Name: 2-[1-(1-methylpyrazol-4-yl)imidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-(1-methylpyrazol-4-yl)imidazol-2-yl]thio]acetic acid Formula: C9H10N4O2S MolecularWeight: 238.2663

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)N2C=CN=C2SCC(=O)O

Isomeric SMILES

CN1C=C(C=N1)N2C=CN=C2SCC(=O)O

InChI

InChI=1S/C9H10N4O2S/c1-12-5-7(4-11-12)13-3-2-10-9(13)16-6-8(14)15/h2-5H,6H2,1H3,(H,14,15)