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

Systemtic Name: N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide Openeye Name: N-[3-nitro-5-(p-tolylsulfanyl)phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide CAS Name: N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide IUPAC Name: N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide Traditional Name: N-[3-nitro-5-(p-tolylthio)phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide Formula: C18H13F3N4O3S MolecularWeight: 422.38103

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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=NNC(=C3)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C18H13F3N4O3S/c1-10-2-4-13(5-3-10)29-14-7-11(6-12(8-14)25(27)28)22-17(26)15-9-16(24-23-15)18(19,20)21/h2-9H,1H3,(H,22,26)(H,23,24)