3-[[6-(4-methylphenyl)-5-oxidanidyl-1,2,4-triazin-3-yl]sulfanyl]propanoate

Systemtic Name: 3-[[6-(4-methylphenyl)-5-oxidanidyl-1,2,4-triazin-3-yl]sulfanyl]propanoate Openeye Name: 3-[[5-oxido-6-(p-tolyl)-1,2,4-triazin-3-yl]sulfanyl]propanoate CAS Name: 3-[[6-(4-methylphenyl)-5-oxido-1,2,4-triazin-3-yl]thio]propanoate IUPAC Name: 3-[[6-(4-methylphenyl)-5-oxido-1,2,4-triazin-3-yl]sulfanyl]propanoate Traditional Name: 3-[[5-oxido-6-(p-tolyl)-1,2,4-triazin-3-yl]thio]propionate Formula: C13H11N3O3S-2 MolecularWeight: 289.30974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N=C(N=N2)SCCC(=O)[O-])[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=C(N=N2)SCCC(=O)[O-])[O-]

InChI

InChI=1S/C13H13N3O3S/c1-8-2-4-9(5-3-8)11-12(19)14-13(16-15-11)20-7-6-10(17)18/h2-5H,6-7H2,1H3,(H,17,18)(H,14,16,19)/p-2