N-(1-cyanocyclohexyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(1-cyanocyclohexyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]acetamide Formula: C18H17F3N4OS MolecularWeight: 394.41399

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C18H17F3N4OS/c19-18(20,21)16-23-13-7-3-2-6-12(13)15(24-16)27-10-14(26)25-17(11-22)8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-10H2,(H,25,26)