1-[(4-bromanylpyrazol-1-yl)methyl]-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]pyrazole-3-carboxamide

Systemtic Name: 1-[(4-bromanylpyrazol-1-yl)methyl]-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]pyrazole-3-carboxamide Openeye Name: 1-[(4-bromopyrazol-1-yl)methyl]-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]pyrazole-3-carboxamide CAS Name: 1-[(4-bromo-1-pyrazolyl)methyl]-N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromopyrazol-1-yl)methyl]-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]pyrazole-3-carboxamide Traditional Name: 1-[(4-bromopyrazol-1-yl)methyl]-N-[3-nitro-5-(p-tolylthio)phenyl]pyrazole-3-carboxamide Formula: C21H17BrN6O3S MolecularWeight: 513.36708

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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=NN(C=C3)CN4C=C(C=N4)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrN6O3S/c1-14-2-4-18(5-3-14)32-19-9-16(8-17(10-19)28(30)31)24-21(29)20-6-7-26(25-20)13-27-12-15(22)11-23-27/h2-12H,13H2,1H3,(H,24,29)