5-[[6-(4-methylphenyl)-5-oxidanylidene-2H-1,2,4-triazin-3-yl]sulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 5-[[6-(4-methylphenyl)-5-oxidanylidene-2H-1,2,4-triazin-3-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[5-oxo-6-(p-tolyl)-2H-1,2,4-triazin-3-yl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[6-(4-methylphenyl)-5-oxo-2H-1,2,4-triazin-3-yl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[6-(4-methylphenyl)-5-oxo-2H-1,2,4-triazin-3-yl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[5-keto-6-(p-tolyl)-2H-1,2,4-triazin-3-yl]thio]methyl]-2-furoic acid Formula: C16H13N3O4S MolecularWeight: 343.35712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=NC2=O)SCC3=CC=C(O3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=NC2=O)SCC3=CC=C(O3)C(=O)O

InChI

InChI=1S/C16H13N3O4S/c1-9-2-4-10(5-3-9)13-14(20)17-16(19-18-13)24-8-11-6-7-12(23-11)15(21)22/h2-7H,8H2,1H3,(H,21,22)(H,17,19,20)