4-(4-cyanophenyl)-N-[3-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide

Systemtic Name: 4-(4-cyanophenyl)-N-[3-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide Openeye Name: 4-(4-cyanophenyl)-N-[3-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide CAS Name: 4-(4-cyanophenyl)-N-[3-(trifluoromethylthio)phenyl]-1-piperazinecarboxamide IUPAC Name: 4-(4-cyanophenyl)-N-[3-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide Traditional Name: 4-(4-cyanophenyl)-N-[3-(trifluoromethylthio)phenyl]piperazine-1-carboxamide Formula: C19H17F3N4OS MolecularWeight: 406.42469

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)C#N)C(=O)NC3=CC(=CC=C3)SC(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)C#N)C(=O)NC3=CC(=CC=C3)SC(F)(F)F

InChI

InChI=1S/C19H17F3N4OS/c20-19(21,22)28-17-3-1-2-15(12-17)24-18(27)26-10-8-25(9-11-26)16-6-4-14(13-23)5-7-16/h1-7,12H,8-11H2,(H,24,27)