tert-butyl 5-azanyl-3-methanoyl-4-(trifluoromethylsulfanyl)pyrazole-1-carboxylate

Systemtic Name: tert-butyl 5-azanyl-3-methanoyl-4-(trifluoromethylsulfanyl)pyrazole-1-carboxylate Openeye Name: tert-butyl 5-amino-3-formyl-4-(trifluoromethylsulfanyl)pyrazole-1-carboxylate CAS Name: 5-amino-3-formyl-4-(trifluoromethylthio)-1-pyrazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-amino-3-formyl-4-(trifluoromethylsulfanyl)pyrazole-1-carboxylate Traditional Name: 5-amino-3-formyl-4-(trifluoromethylthio)pyrazole-1-carboxylic acid tert-butyl ester Formula: C10H12F3N3O3S MolecularWeight: 311.28079

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(=C(C(=N1)C=O)SC(F)(F)F)N

Isomeric SMILES

CC(C)(C)OC(=O)N1C(=C(C(=N1)C=O)SC(F)(F)F)N

InChI

InChI=1S/C10H12F3N3O3S/c1-9(2,3)19-8(18)16-7(14)6(5(4-17)15-16)20-10(11,12)13/h4H,14H2,1-3H3