3-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]-N-(2-methylsulfanylphenyl)benzamide

Systemtic Name: 3-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]-N-(2-methylsulfanylphenyl)benzamide Openeye Name: 3-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-N-(2-methylsulfanylphenyl)benzamide CAS Name: 3-[(4-bromo-3-nitro-1-pyrazolyl)methyl]-N-[2-(methylthio)phenyl]benzamide IUPAC Name: 3-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-(2-methylsulfanylphenyl)benzamide Traditional Name: 3-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-N-[2-(methylthio)phenyl]benzamide Formula: C18H15BrN4O3S MolecularWeight: 447.3057

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)CN3C=C(C(=N3)[N+](=O)[O-])Br

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)CN3C=C(C(=N3)[N+](=O)[O-])Br

InChI

InChI=1S/C18H15BrN4O3S/c1-27-16-8-3-2-7-15(16)20-18(24)13-6-4-5-12(9-13)10-22-11-14(19)17(21-22)23(25)26/h2-9,11H,10H2,1H3,(H,20,24)