N-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C22H22ClF3N4O2S MolecularWeight: 498.94889

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C22H22ClF3N4O2S/c1-2-3-4-7-10-30-20(32)15-8-5-6-9-17(15)28-21(30)33-13-18(31)29-19-16(23)11-14(12-27-19)22(24,25)26/h5-6,8-9,11-12H,2-4,7,10,13H2,1H3,(H,27,29,31)