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

Systemtic Name: 1-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2-(2-methylquinazolin-4-yl)sulfanyl-ethanone Openeye Name: 1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]-2-(2-methylquinazolin-4-yl)sulfanyl-ethanone CAS Name: 1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]-2-[(2-methyl-4-quinazolinyl)thio]ethanone IUPAC Name: 1-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2-(2-methylquinazolin-4-yl)sulfanylethanone Traditional Name: 1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazino]-2-[(2-methylquinazolin-4-yl)thio]ethanone Formula: C21H19ClF3N5OS MolecularWeight: 481.92167

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)N3CCN(CC3)C4=C(C=C(C=N4)C(F)(F)F)Cl

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)N3CCN(CC3)C4=C(C=C(C=N4)C(F)(F)F)Cl

InChI

InChI=1S/C21H19ClF3N5OS/c1-13-27-17-5-3-2-4-15(17)20(28-13)32-12-18(31)29-6-8-30(9-7-29)19-16(22)10-14(11-26-19)21(23,24)25/h2-5,10-11H,6-9,12H2,1H3