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

Systemtic Name: 5-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]furan-2-carboxamide Openeye Name: 5-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]furan-2-carboxamide CAS Name: 5-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-2-furancarboxamide IUPAC Name: 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]furan-2-carboxamide Traditional Name: 5-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[3-nitro-5-(p-tolylthio)phenyl]-2-furamide Formula: C24H21BrN4O4S MolecularWeight: 541.41694

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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)C)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C24H21BrN4O4S/c1-14-4-7-20(8-5-14)34-21-11-17(10-18(12-21)29(31)32)26-24(30)22-9-6-19(33-22)13-28-16(3)23(25)15(2)27-28/h4-12H,13H2,1-3H3,(H,26,30)