2-[3-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-methyl-ethanamide

Systemtic Name: 2-[3-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-methyl-ethanamide Openeye Name: 2-[3-(3-chloro-4-methoxy-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-methyl-acetamide CAS Name: 2-[[3-(3-chloro-4-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]-N-(2-cyanoethyl)-N-methylacetamide IUPAC Name: 2-[3-(3-chloro-4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-methylacetamide Traditional Name: 2-[[3-(3-chloro-4-methoxy-phenyl)-4-keto-quinazolin-2-yl]thio]-N-(2-cyanoethyl)-N-methyl-acetamide Formula: C21H19ClN4O3S MolecularWeight: 442.91856

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CN(CCC#N)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C21H19ClN4O3S/c1-25(11-5-10-23)19(27)13-30-21-24-17-7-4-3-6-15(17)20(28)26(21)14-8-9-18(29-2)16(22)12-14/h3-4,6-9,12H,5,11,13H2,1-2H3