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

Systemtic Name: 2-[[4-azanyl-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-amino-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-amino-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-amino-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-amino-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]thio]acetate Formula: C14H13N6O3S- MolecularWeight: 345.35642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=C2)C3=NN=C(N3N)SCC(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=C2)C3=NN=C(N3N)SCC(=O)[O-]

InChI

InChI=1S/C14H14N6O3S/c1-23-9-4-2-8(3-5-9)10-6-11(17-16-10)13-18-19-14(20(13)15)24-7-12(21)22/h2-6H,7,15H2,1H3,(H,16,17)(H,21,22)/p-1