N-(5-chloranyl-2-cyano-phenyl)-2-[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(5-chloranyl-2-cyano-phenyl)-2-[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(5-chloro-2-cyano-phenyl)-2-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(5-chloro-2-cyanophenyl)-2-[[4-oxo-3-(2-oxolanylmethyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(5-chloro-2-cyanophenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(5-chloro-2-cyano-phenyl)-2-[[4-keto-3-(tetrahydrofurfuryl)quinazolin-2-yl]thio]acetamide Formula: C22H19ClN4O3S MolecularWeight: 454.92926

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=CC(=C4)Cl)C#N

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=CC(=C4)Cl)C#N

InChI

InChI=1S/C22H19ClN4O3S/c23-15-8-7-14(11-24)19(10-15)25-20(28)13-31-22-26-18-6-2-1-5-17(18)21(29)27(22)12-16-4-3-9-30-16/h1-2,5-8,10,16H,3-4,9,12-13H2,(H,25,28)