2-chloranyl-7-methylsulfanyl-3-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]quinoline

Systemtic Name: 2-chloranyl-7-methylsulfanyl-3-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]quinoline Openeye Name: 2-chloro-7-methylsulfanyl-3-[[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]methyl]quinoline CAS Name: 2-chloro-7-(methylthio)-3-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]methyl]quinoline IUPAC Name: 2-chloro-7-methylsulfanyl-3-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]quinoline Traditional Name: 2-chloro-7-(methylthio)-3-[[4-[5-(trifluoromethyl)-2-pyridyl]piperazino]methyl]quinoline Formula: C21H20ClF3N4S MolecularWeight: 452.92351

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)CN3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F)Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)CN3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F)Cl

InChI

InChI=1S/C21H20ClF3N4S/c1-30-17-4-2-14-10-15(20(22)27-18(14)11-17)13-28-6-8-29(9-7-28)19-5-3-16(12-26-19)21(23,24)25/h2-5,10-12H,6-9,13H2,1H3