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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1C2=CN(N=C2)C)SCC(=O)O

Isomeric SMILES

CCCC1=NN=C(N1C2=CN(N=C2)C)SCC(=O)O

InChI

InChI=1S/C11H15N5O2S/c1-3-4-9-13-14-11(19-7-10(17)18)16(9)8-5-12-15(2)6-8/h5-6H,3-4,7H2,1-2H3,(H,17,18)