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

Systemtic Name: hexyl 2-[[3,5-bis(oxidanylidene)-2H-1,2,4-triazin-6-yl]sulfanyl]butanoate Openeye Name: hexyl 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 hexyl ester IUPAC Name: hexyl 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 hexyl ester Formula: C13H21N3O4S MolecularWeight: 315.38854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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