2-[5-butyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]ethyl thiocyanate

Systemtic Name: 2-[5-butyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]ethyl thiocyanate Openeye Name: 2-(5-butyl-2,4,6-trioxo-hexahydropyrimidin-5-yl)ethyl thiocyanate CAS Name: thiocyanic acid 2-(5-butyl-2,4,6-trioxo-1,3-diazinan-5-yl)ethyl ester IUPAC Name: 2-(5-butyl-2,4,6-trioxo-1,3-diazinan-5-yl)ethyl thiocyanate Traditional Name: thiocyanic acid 2-(5-butyl-2,4,6-triketo-hexahydropyrimidin-5-yl)ethyl ester Formula: C11H15N3O3S MolecularWeight: 269.3201

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(=O)NC(=O)NC1=O)CCSC#N

Isomeric SMILES

CCCCC1(C(=O)NC(=O)NC1=O)CCSC#N

InChI

InChI=1S/C11H15N3O3S/c1-2-3-4-11(5-6-18-7-12)8(15)13-10(17)14-9(11)16/h2-6H2,1H3,(H2,13,14,15,16,17)