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

Systemtic Name: 2-[[4-(1-methylpyrazol-4-yl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-isopropyl-4-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(1-methyl-4-pyrazolyl)-5-propan-2-yl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(1-methylpyrazol-4-yl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-isopropyl-4-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C11H15N5O2S MolecularWeight: 281.3341

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C2=CN(N=C2)C)SCC(=O)O

Isomeric SMILES

CC(C)C1=NN=C(N1C2=CN(N=C2)C)SCC(=O)O

InChI

InChI=1S/C11H15N5O2S/c1-7(2)10-13-14-11(19-6-9(17)18)16(10)8-4-12-15(3)5-8/h4-5,7H,6H2,1-3H3,(H,17,18)