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

Systemtic Name: 5-[(6-methyl-5-oxidanylidene-2H-1,2,4-triazin-3-yl)sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[(5-keto-6-methyl-2H-1,2,4-triazin-3-yl)thio]methyl]-2-furoic acid Formula: C10H9N3O4S MolecularWeight: 267.26116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=NC1=O)SCC2=CC=C(O2)C(=O)O

Isomeric SMILES

CC1=NNC(=NC1=O)SCC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C10H9N3O4S/c1-5-8(14)11-10(13-12-5)18-4-6-2-3-7(17-6)9(15)16/h2-3H,4H2,1H3,(H,15,16)(H,11,13,14)