1-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2-quinazolin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2-quinazolin-4-ylsulfanyl-ethanone Openeye Name: 1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]-2-quinazolin-4-ylsulfanyl-ethanone CAS Name: 1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]-2-(4-quinazolinylthio)ethanone IUPAC Name: 1-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2-quinazolin-4-ylsulfanylethanone Traditional Name: 1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazino]-2-(quinazolin-4-ylthio)ethanone Formula: C20H17ClF3N5OS MolecularWeight: 467.89509

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)CSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C20H17ClF3N5OS/c21-15-9-13(20(22,23)24)10-25-18(15)29-7-5-28(6-8-29)17(30)11-31-19-14-3-1-2-4-16(14)26-12-27-19/h1-4,9-10,12H,5-8,11H2