5-[[6-(3,4-dimethylphenyl)-5-oxidanidyl-1,2,4-triazin-3-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: 5-[[6-(3,4-dimethylphenyl)-5-oxidanidyl-1,2,4-triazin-3-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: 5-[[6-(3,4-dimethylphenyl)-5-oxido-1,2,4-triazin-3-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[6-(3,4-dimethylphenyl)-5-oxido-1,2,4-triazin-3-yl]thio]methyl]-2-furancarboxylate IUPAC Name: 5-[[6-(3,4-dimethylphenyl)-5-oxido-1,2,4-triazin-3-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[6-(3,4-dimethylphenyl)-5-oxido-1,2,4-triazin-3-yl]thio]methyl]-2-furoate Formula: C17H13N3O4S-2 MolecularWeight: 355.36782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(N=C(N=N2)SCC3=CC=C(O3)C(=O)[O-])[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(N=C(N=N2)SCC3=CC=C(O3)C(=O)[O-])[O-])C

InChI

InChI=1S/C17H15N3O4S/c1-9-3-4-11(7-10(9)2)14-15(21)18-17(20-19-14)25-8-12-5-6-13(24-12)16(22)23/h3-7H,8H2,1-2H3,(H,22,23)(H,18,20,21)/p-2