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

Systemtic Name: ethyl 2-[[3,5-bis(oxidanylidene)-2H-1,2,4-triazin-6-yl]sulfanyl]octanoate Openeye Name: ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]octanoate CAS Name: 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)thio]octanoic acid ethyl ester IUPAC Name: ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]octanoate Traditional Name: 2-[(3,5-diketo-2H-1,2,4-triazin-6-yl)thio]caprylic acid ethyl ester Formula: C13H21N3O4S MolecularWeight: 315.38854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)OCC)SC1=NNC(=O)NC1=O

Isomeric SMILES

CCCCCCC(C(=O)OCC)SC1=NNC(=O)NC1=O

InChI

InChI=1S/C13H21N3O4S/c1-3-5-6-7-8-9(12(18)20-4-2)21-11-10(17)14-13(19)16-15-11/h9H,3-8H2,1-2H3,(H2,14,16,17,19)