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

Systemtic Name: 2-[3-(4-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[3-(4-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(3-nitrophenyl)acetamide CAS Name: 2-[[3-(4-chlorophenyl)-4-oxo-2-quinazolinyl]thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-nitrophenyl)acetamide Traditional Name: 2-[[3-(4-chlorophenyl)-4-keto-quinazolin-2-yl]thio]-N-(3-nitrophenyl)acetamide Formula: C22H15ClN4O4S MolecularWeight: 466.8969

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H15ClN4O4S/c23-14-8-10-16(11-9-14)26-21(29)18-6-1-2-7-19(18)25-22(26)32-13-20(28)24-15-4-3-5-17(12-15)27(30)31/h1-12H,13H2,(H,24,28)