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

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-(3-benzyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(3-chloro-4-cyano-phenyl)acetamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-[[4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]acetamide IUPAC Name: 2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-chloro-4-cyanophenyl)acetamide Traditional Name: 2-[(3-benzyl-4-keto-quinazolin-2-yl)thio]-N-(3-chloro-4-cyano-phenyl)acetamide Formula: C24H17ClN4O2S MolecularWeight: 460.93538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=C(C=C4)C#N)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=C(C=C4)C#N)Cl

InChI

InChI=1S/C24H17ClN4O2S/c25-20-12-18(11-10-17(20)13-26)27-22(30)15-32-24-28-21-9-5-4-8-19(21)23(31)29(24)14-16-6-2-1-3-7-16/h1-12H,14-15H2,(H,27,30)