2-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-6-methyl-3-sulfanylidene-1,2,4-triazin-5-one

Systemtic Name: 2-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-6-methyl-3-sulfanylidene-1,2,4-triazin-5-one Openeye Name: 2-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-6-methyl-3-thioxo-1,2,4-triazin-5-one CAS Name: 2-(1,3-dihydroxypropan-2-yloxymethyl)-6-methyl-3-sulfanylidene-1,2,4-triazin-5-one IUPAC Name: 2-(1,3-dihydroxypropan-2-yloxymethyl)-6-methyl-3-sulfanylidene-1,2,4-triazin-5-one Traditional Name: 2-[(2-hydroxy-1-methylol-ethoxy)methyl]-6-methyl-3-thioxo-1,2,4-triazin-5-one Formula: C8H13N3O4S MolecularWeight: 247.27152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)NC1=O)COC(CO)CO

Isomeric SMILES

CC1=NN(C(=S)NC1=O)COC(CO)CO

InChI

InChI=1S/C8H13N3O4S/c1-5-7(14)9-8(16)11(10-5)4-15-6(2-12)3-13/h6,12-13H,2-4H2,1H3,(H,9,14,16)