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

Systemtic Name: 2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-(2-methylsulfanylphenyl)ethanamide Openeye Name: 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-(2-methylsulfanylphenyl)acetamide CAS Name: 2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-N-[2-(methylthio)phenyl]acetamide IUPAC Name: 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2-methylsulfanylphenyl)acetamide Traditional Name: 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-[2-(methylthio)phenyl]acetamide Formula: C13H13BrN4O3S MolecularWeight: 385.23632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=CC=CC=C2SC)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=CC=CC=C2SC)[N+](=O)[O-])Br

InChI

InChI=1S/C13H13BrN4O3S/c1-8-12(14)13(18(20)21)16-17(8)7-11(19)15-9-5-3-4-6-10(9)22-2/h3-6H,7H2,1-2H3,(H,15,19)