O-methyl N-[5-ethyl-1-(oxan-2-yl)-4-oxidanyl-pyrazol-3-yl]carbonylcarbamothioate

Systemtic Name: O-methyl N-[5-ethyl-1-(oxan-2-yl)-4-oxidanyl-pyrazol-3-yl]carbonylcarbamothioate Openeye Name: O-methyl N-(5-ethyl-4-hydroxy-1-tetrahydropyran-2-yl-pyrazole-3-carbonyl)carbamothioate CAS Name: N-[[5-ethyl-4-hydroxy-1-(2-oxanyl)-3-pyrazolyl]-oxomethyl]carbamothioic acid O-methyl ester IUPAC Name: O-methyl N-[5-ethyl-4-hydroxy-1-(oxan-2-yl)pyrazole-3-carbonyl]carbamothioate Traditional Name: N-(5-ethyl-4-hydroxy-1-tetrahydropyran-2-yl-pyrazole-3-carbonyl)thiocarbamic acid O-methyl ester Formula: C13H19N3O4S MolecularWeight: 313.37266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C2CCCCO2)C(=O)NC(=S)OC)O

Isomeric SMILES

CCC1=C(C(=NN1C2CCCCO2)C(=O)NC(=S)OC)O

InChI

InChI=1S/C13H19N3O4S/c1-3-8-11(17)10(12(18)14-13(21)19-2)15-16(8)9-6-4-5-7-20-9/h9,17H,3-7H2,1-2H3,(H,14,18,21)