4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N-(3-phenylsulfanylpropyl)piperazine-1-carboxamide

Systemtic Name: 4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N-(3-phenylsulfanylpropyl)piperazine-1-carboxamide Openeye Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-(3-phenylsulfanylpropyl)piperazine-1-carboxamide CAS Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-(phenylthio)propyl]-1-piperazinecarboxamide IUPAC Name: 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(3-phenylsulfanylpropyl)piperazine-1-carboxamide Traditional Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-[3-(phenylthio)propyl]piperazine-1-carboxamide Formula: C20H22ClF3N4OS MolecularWeight: 458.92809

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)NCCCSC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)NCCCSC3=CC=CC=C3

InChI

InChI=1S/C20H22ClF3N4OS/c21-17-13-15(20(22,23)24)14-26-18(17)27-8-10-28(11-9-27)19(29)25-7-4-12-30-16-5-2-1-3-6-16/h1-3,5-6,13-14H,4,7-12H2,(H,25,29)