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

Systemtic Name: 2-[[5-methyl-4-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-methyl-4-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-methyl-4-(1-methyl-4-pyrazolyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-methyl-4-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-methyl-4-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C9H11N5O2S MolecularWeight: 253.28094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CN(N=C2)C)SCC(=O)O

Isomeric SMILES

CC1=NN=C(N1C2=CN(N=C2)C)SCC(=O)O

InChI

InChI=1S/C9H11N5O2S/c1-6-11-12-9(17-5-8(15)16)14(6)7-3-10-13(2)4-7/h3-4H,5H2,1-2H3,(H,15,16)