2-[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[4-oxo-3-(3-pyridylmethyl)quinazolin-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[[4-oxo-3-(3-pyridinylmethyl)-2-quinazolinyl]thio]-N-[2-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[[4-keto-3-(3-pyridylmethyl)quinazolin-2-yl]thio]-N-[2-(trifluoromethyl)phenyl]acetamide Formula: C23H17F3N4O2S MolecularWeight: 470.46689

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC=CC=C3C(F)(F)F)CC4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC=CC=C3C(F)(F)F)CC4=CN=CC=C4

InChI

InChI=1S/C23H17F3N4O2S/c24-23(25,26)17-8-2-4-10-19(17)28-20(31)14-33-22-29-18-9-3-1-7-16(18)21(32)30(22)13-15-6-5-11-27-12-15/h1-12H,13-14H2,(H,28,31)