[1-(2,2-dimethylpropoxy)-2-(5-oxidanylidene-1,2,4-triazinan-2-yl)-1-phenyl-ethyl] thiocyanate

Systemtic Name: [1-(2,2-dimethylpropoxy)-2-(5-oxidanylidene-1,2,4-triazinan-2-yl)-1-phenyl-ethyl] thiocyanate Openeye Name: [1-(2,2-dimethylpropoxy)-2-(5-oxo-1,2,4-triazinan-2-yl)-1-phenyl-ethyl] thiocyanate CAS Name: thiocyanic acid [1-(2,2-dimethylpropoxy)-2-(5-oxo-1,2,4-triazinan-2-yl)-1-phenylethyl] ester IUPAC Name: [1-(2,2-dimethylpropoxy)-2-(5-oxo-1,2,4-triazinan-2-yl)-1-phenylethyl] thiocyanate Traditional Name: thiocyanic acid [2-(5-keto-1,2,4-triazinan-2-yl)-1-neopentyloxy-1-phenyl-ethyl] ester Formula: C17H24N4O2S MolecularWeight: 348.46306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC(CN1CNC(=O)CN1)(C2=CC=CC=C2)SC#N

Isomeric SMILES

CC(C)(C)COC(CN1CNC(=O)CN1)(C2=CC=CC=C2)SC#N

InChI

InChI=1S/C17H24N4O2S/c1-16(2,3)11-23-17(24-12-18,14-7-5-4-6-8-14)10-21-13-19-15(22)9-20-21/h4-8,20H,9-11,13H2,1-3H3,(H,19,22)