4-bromanyl-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]-3-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: 4-bromanyl-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: 4-bromo-3-nitro-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]-1H-pyrazole-5-carboxamide CAS Name: 4-bromo-N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 4-bromo-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: 4-bromo-3-nitro-N-[3-nitro-5-(p-tolylthio)phenyl]-1H-pyrazole-5-carboxamide Formula: C17H12BrN5O5S MolecularWeight: 478.27668

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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=C(C(=NN3)[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Br

InChI

InChI=1S/C17H12BrN5O5S/c1-9-2-4-12(5-3-9)29-13-7-10(6-11(8-13)22(25)26)19-17(24)15-14(18)16(21-20-15)23(27)28/h2-8H,1H3,(H,19,24)(H,20,21)