N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propanamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propanamide Openeye Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide CAS Name: 3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-N-[(3S)-1,1-dioxo-3-thiolanyl]propanamide IUPAC Name: 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide Traditional Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-[(3S)-1,1-diketothiolan-3-yl]propionamide Formula: C12H18BrN3O3S MolecularWeight: 364.25862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)NC2CCS(=O)(=O)C2)C)Br

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)N[C@H]2CCS(=O)(=O)C2)C)Br

InChI

InChI=1S/C12H18BrN3O3S/c1-8-12(13)9(2)16(15-8)5-3-11(17)14-10-4-6-20(18,19)7-10/h10H,3-7H2,1-2H3,(H,14,17)/t10-/m0/s1