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

Systemtic Name: 2-[3-[(4-chlorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)ethanamide Openeye Name: 2-[3-[(4-chlorophenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)acetamide CAS Name: 2-[[3-[(4-chlorophenyl)methyl]-4-oxo-2-quinazolinyl]thio]-N-(2-cyanoethyl)acetamide IUPAC Name: 2-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)acetamide Traditional Name: 2-[[3-(4-chlorobenzyl)-4-keto-quinazolin-2-yl]thio]-N-(2-cyanoethyl)acetamide Formula: C20H17ClN4O2S MolecularWeight: 412.89258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NCCC#N)CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NCCC#N)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H17ClN4O2S/c21-15-8-6-14(7-9-15)12-25-19(27)16-4-1-2-5-17(16)24-20(25)28-13-18(26)23-11-3-10-22/h1-2,4-9H,3,11-13H2,(H,23,26)