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

Systemtic Name: methyl N'-[5-ethyl-1-(oxan-2-yl)-4-oxidanyl-pyrazol-3-yl]carbonylcarbamimidothioate Openeye Name: N-[amino(methylsulfanyl)methylene]-5-ethyl-4-hydroxy-1-tetrahydropyran-2-yl-pyrazole-3-carboxamide CAS Name: N'-[[5-ethyl-4-hydroxy-1-(2-oxanyl)-3-pyrazolyl]-oxomethyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[5-ethyl-4-hydroxy-1-(oxan-2-yl)pyrazole-3-carbonyl]carbamimidothioate Traditional Name: N-[amino-(methylthio)methylene]-5-ethyl-4-hydroxy-1-tetrahydropyran-2-yl-pyrazole-3-carboxamide Formula: C13H20N4O3S MolecularWeight: 312.3879

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C2CCCCO2)C(=O)N=C(N)SC)O

Isomeric SMILES

CCC1=C(C(=NN1C2CCCCO2)C(=O)N=C(N)SC)O

InChI

InChI=1S/C13H20N4O3S/c1-3-8-11(18)10(12(19)15-13(14)21-2)16-17(8)9-6-4-5-7-20-9/h9,18H,3-7H2,1-2H3,(H2,14,15,19)