2-[[5-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazol-3-yl]thio]acetic acid Formula: C13H11N5O2S MolecularWeight: 301.32374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=C2)C3=NC(=NN3)SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=C2)C3=NC(=NN3)SCC(=O)O

InChI

InChI=1S/C13H11N5O2S/c19-11(20)7-21-13-14-12(17-18-13)10-6-9(15-16-10)8-4-2-1-3-5-8/h1-6H,7H2,(H,15,16)(H,19,20)(H,14,17,18)