N-(1,3-benzothiazol-2-yl)-2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)acetamide Formula: C13H10BrN5O3S MolecularWeight: 396.2192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=NC3=CC=CC=C3S2)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=NC3=CC=CC=C3S2)[N+](=O)[O-])Br

InChI

InChI=1S/C13H10BrN5O3S/c1-7-11(14)12(19(21)22)17-18(7)6-10(20)16-13-15-8-4-2-3-5-9(8)23-13/h2-5H,6H2,1H3,(H,15,16,20)