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

Systemtic Name: 5-[[5-oxidanylidene-6-(3-oxidanylidene-3-propan-2-yloxy-propyl)-2H-1,2,4-triazin-3-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[6-(3-isopropoxy-3-oxo-propyl)-5-oxo-2H-1,2,4-triazin-3-yl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[5-oxo-6-(3-oxo-3-propan-2-yloxypropyl)-2H-1,2,4-triazin-3-yl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[5-oxo-6-(3-oxo-3-propan-2-yloxypropyl)-2H-1,2,4-triazin-3-yl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[6-(3-isopropoxy-3-keto-propyl)-5-keto-2H-1,2,4-triazin-3-yl]thio]methyl]-2-furoic acid Formula: C15H17N3O6S MolecularWeight: 367.37698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CCC1=NNC(=NC1=O)SCC2=CC=C(O2)C(=O)O

Isomeric SMILES

CC(C)OC(=O)CCC1=NNC(=NC1=O)SCC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C15H17N3O6S/c1-8(2)23-12(19)6-4-10-13(20)16-15(18-17-10)25-7-9-3-5-11(24-9)14(21)22/h3,5,8H,4,6-7H2,1-2H3,(H,21,22)(H,16,18,20)