ethyl 5-tert-butyl-2-(2-methylsulfanylpyrimidin-5-yl)pyrazole-3-carboxylate

Systemtic Name: ethyl 5-tert-butyl-2-(2-methylsulfanylpyrimidin-5-yl)pyrazole-3-carboxylate Openeye Name: ethyl 5-tert-butyl-2-(2-methylsulfanylpyrimidin-5-yl)pyrazole-3-carboxylate CAS Name: 5-tert-butyl-2-[2-(methylthio)-5-pyrimidinyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-tert-butyl-2-(2-methylsulfanylpyrimidin-5-yl)pyrazole-3-carboxylate Traditional Name: 5-tert-butyl-2-[2-(methylthio)pyrimidin-5-yl]pyrazole-3-carboxylic acid ethyl ester Formula: C15H20N4O2S MolecularWeight: 320.4099

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1C2=CN=C(N=C2)SC)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC(=NN1C2=CN=C(N=C2)SC)C(C)(C)C

InChI

InChI=1S/C15H20N4O2S/c1-6-21-13(20)11-7-12(15(2,3)4)18-19(11)10-8-16-14(22-5)17-9-10/h7-9H,6H2,1-5H3