3-[4-bromanyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-phenylsulfanylphenyl)propanamide

Systemtic Name: 3-[4-bromanyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-phenylsulfanylphenyl)propanamide Openeye Name: 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-phenylsulfanylphenyl)propanamide CAS Name: 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]-N-[2-(phenylthio)phenyl]propanamide IUPAC Name: 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-phenylsulfanylphenyl)propanamide Traditional Name: 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(phenylthio)phenyl]propionamide Formula: C22H19BrF3N3OS MolecularWeight: 510.36997

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(C(=NN2CCC(=O)NC3=CC=CC=C3SC4=CC=CC=C4)C(F)(F)F)Br

Isomeric SMILES

C1CC1C2=C(C(=NN2CCC(=O)NC3=CC=CC=C3SC4=CC=CC=C4)C(F)(F)F)Br

InChI

InChI=1S/C22H19BrF3N3OS/c23-19-20(14-10-11-14)29(28-21(19)22(24,25)26)13-12-18(30)27-16-8-4-5-9-17(16)31-15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,27,30)