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

Systemtic Name: 4-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-(2-methylsulfanylphenyl)butanamide Openeye Name: 4-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-(2-methylsulfanylphenyl)butanamide CAS Name: 4-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-N-[2-(methylthio)phenyl]butanamide IUPAC Name: 4-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2-methylsulfanylphenyl)butanamide Traditional Name: 4-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-[2-(methylthio)phenyl]butyramide Formula: C15H17BrN4O3S MolecularWeight: 413.28948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCC(=O)NC2=CC=CC=C2SC)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C(=NN1CCCC(=O)NC2=CC=CC=C2SC)[N+](=O)[O-])Br

InChI

InChI=1S/C15H17BrN4O3S/c1-10-14(16)15(20(22)23)18-19(10)9-5-8-13(21)17-11-6-3-4-7-12(11)24-2/h3-4,6-7H,5,8-9H2,1-2H3,(H,17,21)