N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-methyl-pyrazol-3-yl]-2-(4-nitroimidazol-1-yl)ethanamide

Systemtic Name: N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-methyl-pyrazol-3-yl]-2-(4-nitroimidazol-1-yl)ethanamide Openeye Name: N-[2-(1,1-dioxothiolan-3-yl)-5-methyl-pyrazol-3-yl]-2-(4-nitroimidazol-1-yl)acetamide CAS Name: N-[2-(1,1-dioxo-3-thiolanyl)-5-methyl-3-pyrazolyl]-2-(4-nitro-1-imidazolyl)acetamide IUPAC Name: N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-2-(4-nitroimidazol-1-yl)acetamide Traditional Name: N-[2-(1,1-diketothiolan-3-yl)-5-methyl-pyrazol-3-yl]-2-(4-nitroimidazol-1-yl)acetamide Formula: C13H16N6O5S MolecularWeight: 368.36834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)CN2C=C(N=C2)[N+](=O)[O-])C3CCS(=O)(=O)C3

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)CN2C=C(N=C2)[N+](=O)[O-])C3CCS(=O)(=O)C3

InChI

InChI=1S/C13H16N6O5S/c1-9-4-11(18(16-9)10-2-3-25(23,24)7-10)15-13(20)6-17-5-12(14-8-17)19(21)22/h4-5,8,10H,2-3,6-7H2,1H3,(H,15,20)