N-[1,1-bis(oxidanylidene)thiolan-3-yl]-1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxamide Openeye Name: 1-butyl-5-chloro-N-(1,1-dioxothiolan-3-yl)-3-methyl-pyrazole-4-carboxamide CAS Name: 1-butyl-5-chloro-N-(1,1-dioxo-3-thiolanyl)-3-methyl-4-pyrazolecarboxamide IUPAC Name: 1-butyl-5-chloro-N-(1,1-dioxothiolan-3-yl)-3-methylpyrazole-4-carboxamide Traditional Name: 1-butyl-5-chloro-N-(1,1-diketothiolan-3-yl)-3-methyl-pyrazole-4-carboxamide Formula: C13H20ClN3O3S MolecularWeight: 333.8342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)NC2CCS(=O)(=O)C2)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)NC2CCS(=O)(=O)C2)Cl

InChI

InChI=1S/C13H20ClN3O3S/c1-3-4-6-17-12(14)11(9(2)16-17)13(18)15-10-5-7-21(19,20)8-10/h10H,3-8H2,1-2H3,(H,15,18)