1-(4-chlorophenyl)-N-(3-phenylsulfanylpropyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Systemtic Name: 1-(4-chlorophenyl)-N-(3-phenylsulfanylpropyl)-5-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: 1-(4-chlorophenyl)-N-(3-phenylsulfanylpropyl)-5-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: 1-(4-chlorophenyl)-N-[3-(phenylthio)propyl]-5-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: 1-(4-chlorophenyl)-N-(3-phenylsulfanylpropyl)-5-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: 1-(4-chlorophenyl)-N-[3-(phenylthio)propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide Formula: C20H17ClF3N3OS MolecularWeight: 439.88169

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCNC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)SCCCNC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C20H17ClF3N3OS/c21-14-7-9-15(10-8-14)27-18(20(22,23)24)17(13-26-27)19(28)25-11-4-12-29-16-5-2-1-3-6-16/h1-3,5-10,13H,4,11-12H2,(H,25,28)