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

Systemtic Name: 2-methyl-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide Openeye Name: 2-methyl-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide CAS Name: 2-methyl-N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-5-(trifluoromethyl)-3-pyrazolecarboxamide IUPAC Name: 2-methyl-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide Traditional Name: 2-methyl-N-[3-nitro-5-(p-tolylthio)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide Formula: C19H15F3N4O3S MolecularWeight: 436.40761

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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(=NN3C)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC(=NN3C)C(F)(F)F

InChI

InChI=1S/C19H15F3N4O3S/c1-11-3-5-14(6-4-11)30-15-8-12(7-13(9-15)26(28)29)23-18(27)16-10-17(19(20,21)22)24-25(16)2/h3-10H,1-2H3,(H,23,27)