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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H17ClN4O4S/c1-14-6-9-16(10-7-14)27-22(30)17-4-2-3-5-19(17)26-23(27)33-13-21(29)25-15-8-11-18(24)20(12-15)28(31)32/h2-12H,13H2,1H3,(H,25,29)