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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC)SC1=NNC(=O)NC1=O

Isomeric SMILES

CCC(C(=O)OC)SC1=NNC(=O)NC1=O

InChI

InChI=1S/C8H11N3O4S/c1-3-4(7(13)15-2)16-6-5(12)9-8(14)11-10-6/h4H,3H2,1-2H3,(H2,9,11,12,14)