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

Systemtic Name: 2-[3-(3-chloranyl-2-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-cyano-4-nitro-phenyl)ethanamide Openeye Name: 2-[3-(3-chloro-2-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-cyano-4-nitro-phenyl)acetamide CAS Name: 2-[[3-(3-chloro-2-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-(2-cyano-4-nitrophenyl)acetamide IUPAC Name: 2-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-cyano-4-nitrophenyl)acetamide Traditional Name: 2-[[3-(3-chloro-2-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]-N-(2-cyano-4-nitro-phenyl)acetamide Formula: C24H16ClN5O4S MolecularWeight: 505.93294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C24H16ClN5O4S/c1-14-18(25)6-4-8-21(14)29-23(32)17-5-2-3-7-20(17)28-24(29)35-13-22(31)27-19-10-9-16(30(33)34)11-15(19)12-26/h2-11H,13H2,1H3,(H,27,31)