4-(4-iodanyl-3,5-dimethyl-pyrazol-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)butanamide

Systemtic Name: 4-(4-iodanyl-3,5-dimethyl-pyrazol-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)butanamide Openeye Name: 4-(4-iodo-3,5-dimethyl-pyrazol-1-yl)-N-(5-nitrothiazol-2-yl)butanamide CAS Name: 4-(4-iodo-3,5-dimethyl-1-pyrazolyl)-N-(5-nitro-2-thiazolyl)butanamide IUPAC Name: 4-(4-iodo-3,5-dimethylpyrazol-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)butanamide Traditional Name: 4-(4-iodo-3,5-dimethyl-pyrazol-1-yl)-N-(5-nitrothiazol-2-yl)butyramide Formula: C12H14IN5O3S MolecularWeight: 435.24073

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCC(=O)NC2=NC=C(S2)[N+](=O)[O-])C)I

Isomeric SMILES

CC1=C(C(=NN1CCCC(=O)NC2=NC=C(S2)[N+](=O)[O-])C)I

InChI

InChI=1S/C12H14IN5O3S/c1-7-11(13)8(2)17(16-7)5-3-4-9(19)15-12-14-6-10(22-12)18(20)21/h6H,3-5H2,1-2H3,(H,14,15,19)