N-(4-methylsulfanylphenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide

Systemtic Name: N-(4-methylsulfanylphenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide Openeye Name: N-(4-methylsulfanylphenyl)-4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carboxamide CAS Name: N-[4-(methylthio)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarboxamide IUPAC Name: N-(4-methylsulfanylphenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide Traditional Name: N-[4-(methylthio)phenyl]-4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carboxamide Formula: C18H19F3N4OS MolecularWeight: 396.42987

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H19F3N4OS/c1-27-15-5-3-14(4-6-15)23-17(26)25-10-8-24(9-11-25)16-7-2-13(12-22-16)18(19,20)21/h2-7,12H,8-11H2,1H3,(H,23,26)