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

Systemtic Name: 2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-(2-methylsulfanylphenyl)propanamide Openeye Name: 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-(2-methylsulfanylphenyl)propanamide CAS Name: 2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-N-[2-(methylthio)phenyl]propanamide IUPAC Name: 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2-methylsulfanylphenyl)propanamide Traditional Name: 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-[2-(methylthio)phenyl]propionamide Formula: C14H15BrN4O3S MolecularWeight: 399.2629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C(=O)NC2=CC=CC=C2SC)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C(=NN1C(C)C(=O)NC2=CC=CC=C2SC)[N+](=O)[O-])Br

InChI

InChI=1S/C14H15BrN4O3S/c1-8-12(15)13(19(21)22)17-18(8)9(2)14(20)16-10-6-4-5-7-11(10)23-3/h4-7,9H,1-3H3,(H,16,20)