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

Systemtic Name: 4-bromanyl-1-methyl-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide Openeye Name: 4-bromo-1-methyl-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide CAS Name: 4-bromo-1-methyl-N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-5-(trifluoromethyl)-3-pyrazolecarboxamide IUPAC Name: 4-bromo-1-methyl-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide Traditional Name: 4-bromo-1-methyl-N-[3-nitro-5-(p-tolylthio)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide Formula: C19H14BrF3N4O3S MolecularWeight: 515.30367

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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(=C3Br)C(F)(F)F)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NN(C(=C3Br)C(F)(F)F)C

InChI

InChI=1S/C19H14BrF3N4O3S/c1-10-3-5-13(6-4-10)31-14-8-11(7-12(9-14)27(29)30)24-18(28)16-15(20)17(19(21,22)23)26(2)25-16/h3-9H,1-2H3,(H,24,28)