N-(2-chloranyl-5-nitro-phenyl)-2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-(3-benzyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-chloro-5-nitro-phenyl)acetamide CAS Name: N-(2-chloro-5-nitrophenyl)-2-[[4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]acetamide IUPAC Name: 2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-chloro-5-nitrophenyl)acetamide Traditional Name: 2-[(3-benzyl-4-keto-quinazolin-2-yl)thio]-N-(2-chloro-5-nitro-phenyl)acetamide Formula: C23H17ClN4O4S MolecularWeight: 480.92348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C23H17ClN4O4S/c24-18-11-10-16(28(31)32)12-20(18)25-21(29)14-33-23-26-19-9-5-4-8-17(19)22(30)27(23)13-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,25,29)