2-[[3,5-bis(oxidanylidene)-2H-1,2,4-triazin-6-yl]sulfanyl]-3-methyl-butanoic acid

Systemtic Name: 2-[[3,5-bis(oxidanylidene)-2H-1,2,4-triazin-6-yl]sulfanyl]-3-methyl-butanoic acid Openeye Name: 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-3-methyl-butanoic acid CAS Name: 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)thio]-3-methylbutanoic acid IUPAC Name: 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-3-methylbutanoic acid Traditional Name: 2-[(3,5-diketo-2H-1,2,4-triazin-6-yl)thio]-3-methyl-butyric acid Formula: C8H11N3O4S MolecularWeight: 245.25564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)SC1=NNC(=O)NC1=O

Isomeric SMILES

CC(C)C(C(=O)O)SC1=NNC(=O)NC1=O

InChI

InChI=1S/C8H11N3O4S/c1-3(2)4(7(13)14)16-6-5(12)9-8(15)11-10-6/h3-4H,1-2H3,(H,13,14)(H2,9,11,12,15)