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

Systemtic Name: 2-[[4-azanyl-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]thio]acetate Formula: C13H11N6O2S- MolecularWeight: 315.33044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=C2)C3=NN=C(N3N)SCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=C2)C3=NN=C(N3N)SCC(=O)[O-]

InChI

InChI=1S/C13H12N6O2S/c14-19-12(17-18-13(19)22-7-11(20)21)10-6-9(15-16-10)8-4-2-1-3-5-8/h1-6H,7,14H2,(H,15,16)(H,20,21)/p-1