N-(1-cyanocyclopentyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(1-cyanocyclopentyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(1-cyanocyclopentyl)-2-[2-(2-thienyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(1-cyanocyclopentyl)-2-[(2-thiophen-2-yl-4-quinazolinyl)thio]acetamide IUPAC Name: N-(1-cyanocyclopentyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide Traditional Name: N-(1-cyanocyclopentyl)-2-[[2-(2-thienyl)quinazolin-4-yl]thio]acetamide Formula: C20H18N4OS2 MolecularWeight: 394.51312

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C20H18N4OS2/c21-13-20(9-3-4-10-20)24-17(25)12-27-19-14-6-1-2-7-15(14)22-18(23-19)16-8-5-11-26-16/h1-2,5-8,11H,3-4,9-10,12H2,(H,24,25)