3-[[6-(4-methoxyphenyl)-5-oxidanylidene-2H-1,2,4-triazin-3-yl]sulfanyl]propanoic acid

Systemtic Name: 3-[[6-(4-methoxyphenyl)-5-oxidanylidene-2H-1,2,4-triazin-3-yl]sulfanyl]propanoic acid Openeye Name: 3-[[6-(4-methoxyphenyl)-5-oxo-2H-1,2,4-triazin-3-yl]sulfanyl]propanoic acid CAS Name: 3-[[6-(4-methoxyphenyl)-5-oxo-2H-1,2,4-triazin-3-yl]thio]propanoic acid IUPAC Name: 3-[[6-(4-methoxyphenyl)-5-oxo-2H-1,2,4-triazin-3-yl]sulfanyl]propanoic acid Traditional Name: 3-[[5-keto-6-(4-methoxyphenyl)-2H-1,2,4-triazin-3-yl]thio]propionic acid Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=NC2=O)SCCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=NC2=O)SCCC(=O)O

InChI

InChI=1S/C13H13N3O4S/c1-20-9-4-2-8(3-5-9)11-12(19)14-13(16-15-11)21-7-6-10(17)18/h2-5H,6-7H2,1H3,(H,17,18)(H,14,16,19)