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

Systemtic Name: 2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-phenylsulfanylphenyl)ethanamide Openeye Name: 2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-phenylsulfanylphenyl)acetamide CAS Name: 2-[5-methyl-4-nitro-3-(trifluoromethyl)-1-pyrazolyl]-N-[2-(phenylthio)phenyl]acetamide IUPAC Name: 2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-phenylsulfanylphenyl)acetamide Traditional Name: 2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(phenylthio)phenyl]acetamide Formula: C19H15F3N4O3S MolecularWeight: 436.40761

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3)C(F)(F)F)[N+](=O)[O-]

InChI

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