O-ethyl 5-methyl-2-octyl-3-oxidanylidene-1H-pyrazole-4-carbothioate

Systemtic Name: O-ethyl 5-methyl-2-octyl-3-oxidanylidene-1H-pyrazole-4-carbothioate Openeye Name: O-ethyl 5-methyl-2-octyl-3-oxo-1H-pyrazole-4-carbothioate CAS Name: 5-methyl-2-octyl-3-oxo-1H-pyrazole-4-carbothioic acid O-ethyl ester IUPAC Name: O-ethyl 5-methyl-2-octyl-3-oxo-1H-pyrazole-4-carbothioate Traditional Name: 5-keto-3-methyl-1-octyl-3-pyrazoline-4-carbothioic acid O-ethyl ester Formula: C15H26N2O2S MolecularWeight: 298.44414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=O)C(=C(N1)C)C(=S)OCC

Isomeric SMILES

CCCCCCCCN1C(=O)C(=C(N1)C)C(=S)OCC

InChI

InChI=1S/C15H26N2O2S/c1-4-6-7-8-9-10-11-17-14(18)13(12(3)16-17)15(20)19-5-2/h16H,4-11H2,1-3H3