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

Systemtic Name: 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]propanamide Openeye Name: 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]propanamide CAS Name: 3-[5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]-N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]propanamide IUPAC Name: 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]propanamide Traditional Name: 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-nitro-5-(p-tolylthio)phenyl]propionamide Formula: C23H21F3N4O3S MolecularWeight: 490.49805

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCN3C(=CC(=N3)C(F)(F)F)C4CC4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCN3C(=CC(=N3)C(F)(F)F)C4CC4

InChI

InChI=1S/C23H21F3N4O3S/c1-14-2-6-18(7-3-14)34-19-11-16(10-17(12-19)30(32)33)27-22(31)8-9-29-20(15-4-5-15)13-21(28-29)23(24,25)26/h2-3,6-7,10-13,15H,4-5,8-9H2,1H3,(H,27,31)