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

Systemtic Name: 2-[[5-cyclopropyl-4-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-cyclopropyl-4-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-cyclopropyl-4-(1-methyl-4-pyrazolyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-cyclopropyl-4-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-cyclopropyl-4-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C11H13N5O2S MolecularWeight: 279.31822

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)N2C(=NN=C2SCC(=O)O)C3CC3

Isomeric SMILES

CN1C=C(C=N1)N2C(=NN=C2SCC(=O)O)C3CC3

InChI

InChI=1S/C11H13N5O2S/c1-15-5-8(4-12-15)16-10(7-2-3-7)13-14-11(16)19-6-9(17)18/h4-5,7H,2-3,6H2,1H3,(H,17,18)