N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanamide

Systemtic Name: N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanamide Openeye Name: 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]acetamide CAS Name: N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-2-[3-methyl-5-(trifluoromethyl)-1-pyrazolyl]acetamide IUPAC Name: N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide Traditional Name: 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[3-nitro-5-(p-tolylthio)phenyl]acetamide Formula: C20H17F3N4O3S MolecularWeight: 450.43419

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CN3C(=CC(=N3)C)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CN3C(=CC(=N3)C)C(F)(F)F

InChI

InChI=1S/C20H17F3N4O3S/c1-12-3-5-16(6-4-12)31-17-9-14(8-15(10-17)27(29)30)24-19(28)11-26-18(20(21,22)23)7-13(2)25-26/h3-10H,11H2,1-2H3,(H,24,28)