2-(7-chloranyl-3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-cyano-4-nitro-phenyl)ethanamide

Systemtic Name: 2-(7-chloranyl-3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-cyano-4-nitro-phenyl)ethanamide Openeye Name: 2-(7-chloro-3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-cyano-4-nitro-phenyl)acetamide CAS Name: 2-[(7-chloro-3-cyclopentyl-4-oxo-2-quinazolinyl)thio]-N-(2-cyano-4-nitrophenyl)acetamide IUPAC Name: 2-(7-chloro-3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-cyano-4-nitrophenyl)acetamide Traditional Name: 2-[(7-chloro-3-cyclopentyl-4-keto-quinazolin-2-yl)thio]-N-(2-cyano-4-nitro-phenyl)acetamide Formula: C22H18ClN5O4S MolecularWeight: 483.92742

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

C1CCC(C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C22H18ClN5O4S/c23-14-5-7-17-19(10-14)26-22(27(21(17)30)15-3-1-2-4-15)33-12-20(29)25-18-8-6-16(28(31)32)9-13(18)11-24/h5-10,15H,1-4,12H2,(H,25,29)