N-(3-cyanophenyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-cyanophenyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(3-cyanophenyl)-2-[2-(2-thienyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(3-cyanophenyl)-2-[(2-thiophen-2-yl-4-quinazolinyl)thio]acetamide IUPAC Name: N-(3-cyanophenyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide Traditional Name: N-(3-cyanophenyl)-2-[[2-(2-thienyl)quinazolin-4-yl]thio]acetamide Formula: C21H14N4OS2 MolecularWeight: 402.49206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=CS3)SCC(=O)NC4=CC=CC(=C4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=CS3)SCC(=O)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H14N4OS2/c22-12-14-5-3-6-15(11-14)23-19(26)13-28-21-16-7-1-2-8-17(16)24-20(25-21)18-9-4-10-27-18/h1-11H,13H2,(H,23,26)