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

Systemtic Name: N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamide Openeye Name: N-[3-nitro-5-(p-tolylsulfanyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide CAS Name: N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-2-[3-(trifluoromethyl)-1-pyrazolyl]acetamide IUPAC Name: N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide Traditional Name: N-[3-nitro-5-(p-tolylthio)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide 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)CN3C=CC(=N3)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C19H15F3N4O3S/c1-12-2-4-15(5-3-12)30-16-9-13(8-14(10-16)26(28)29)23-18(27)11-25-7-6-17(24-25)19(20,21)22/h2-10H,11H2,1H3,(H,23,27)