O-[5-aminocarbonyl-3-ethyl-1-(oxan-2-yl)pyrazol-4-yl] imidazole-1-carbothioate

Systemtic Name: O-[5-aminocarbonyl-3-ethyl-1-(oxan-2-yl)pyrazol-4-yl] imidazole-1-carbothioate Openeye Name: O-(5-carbamoyl-3-ethyl-1-tetrahydropyran-2-yl-pyrazol-4-yl) imidazole-1-carbothioate CAS Name: 1-imidazolecarbothioic acid O-[5-carbamoyl-3-ethyl-1-(2-oxanyl)-4-pyrazolyl] ester IUPAC Name: O-[5-carbamoyl-3-ethyl-1-(oxan-2-yl)pyrazol-4-yl] imidazole-1-carbothioate Traditional Name: imidazole-1-carbothioic acid O-(5-carbamoyl-3-ethyl-1-tetrahydropyran-2-yl-pyrazol-4-yl) ester Formula: C15H19N5O3S MolecularWeight: 349.40806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1OC(=S)N2C=CN=C2)C(=O)N)C3CCCCO3

Isomeric SMILES

CCC1=NN(C(=C1OC(=S)N2C=CN=C2)C(=O)N)C3CCCCO3

InChI

InChI=1S/C15H19N5O3S/c1-2-10-13(23-15(24)19-7-6-17-9-19)12(14(16)21)20(18-10)11-5-3-4-8-22-11/h6-7,9,11H,2-5,8H2,1H3,(H2,16,21)