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

Systemtic Name: 5-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[(5,6-dimethyl-1,2,4-triazin-3-yl)thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[(5,6-dimethyl-1,2,4-triazin-3-yl)thio]methyl]-2-furoic acid Formula: C11H11N3O3S MolecularWeight: 265.28834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NC(=N1)SCC2=CC=C(O2)C(=O)O)C

Isomeric SMILES

CC1=C(N=NC(=N1)SCC2=CC=C(O2)C(=O)O)C

InChI

InChI=1S/C11H11N3O3S/c1-6-7(2)13-14-11(12-6)18-5-8-3-4-9(17-8)10(15)16/h3-4H,5H2,1-2H3,(H,15,16)