2-[7-chloranyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(cyanomethyl)-N-phenyl-ethanamide

Systemtic Name: 2-[7-chloranyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(cyanomethyl)-N-phenyl-ethanamide Openeye Name: 2-[7-chloro-3-(2-furylmethyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(cyanomethyl)-N-phenyl-acetamide CAS Name: 2-[[7-chloro-3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]thio]-N-(cyanomethyl)-N-phenylacetamide IUPAC Name: 2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(cyanomethyl)-N-phenylacetamide Traditional Name: 2-[[7-chloro-3-(2-furfuryl)-4-keto-quinazolin-2-yl]thio]-N-(cyanomethyl)-N-phenyl-acetamide Formula: C23H17ClN4O3S MolecularWeight: 464.92408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CC#N)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)N(CC#N)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CO4

InChI

InChI=1S/C23H17ClN4O3S/c24-16-8-9-19-20(13-16)26-23(28(22(19)30)14-18-7-4-12-31-18)32-15-21(29)27(11-10-25)17-5-2-1-3-6-17/h1-9,12-13H,11,14-15H2