5-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]furan-2-carboxamide

Systemtic Name: 5-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]furan-2-carboxamide Openeye Name: 5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]furan-2-carboxamide CAS Name: 5-[(4-bromo-3-nitro-1-pyrazolyl)methyl]-N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-2-furancarboxamide IUPAC Name: 5-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]furan-2-carboxamide Traditional Name: 5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-N-[3-nitro-5-(p-tolylthio)phenyl]-2-furamide Formula: C22H16BrN5O6S MolecularWeight: 558.36134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC=C(O3)CN4C=C(C(=N4)[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC=C(O3)CN4C=C(C(=N4)[N+](=O)[O-])Br

InChI

InChI=1S/C22H16BrN5O6S/c1-13-2-5-17(6-3-13)35-18-9-14(8-15(10-18)27(30)31)24-22(29)20-7-4-16(34-20)11-26-12-19(23)21(25-26)28(32)33/h2-10,12H,11H2,1H3,(H,24,29)