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

Systemtic Name: 2-[3-(3-chloranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(5-methoxy-2-methyl-4-nitro-phenyl)ethanamide Openeye Name: 2-[3-(3-chloro-4-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(5-methoxy-2-methyl-4-nitro-phenyl)acetamide CAS Name: 2-[[3-(3-chloro-4-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide IUPAC Name: 2-[3-(3-chloro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide Traditional Name: 2-[[3-(3-chloro-4-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]-N-(5-methoxy-2-methyl-4-nitro-phenyl)acetamide Formula: C25H21ClN4O5S MolecularWeight: 524.97604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=C(C=C4C)[N+](=O)[O-])OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=C(C=C4C)[N+](=O)[O-])OC)Cl

InChI

InChI=1S/C25H21ClN4O5S/c1-14-8-9-16(11-18(14)26)29-24(32)17-6-4-5-7-19(17)28-25(29)36-13-23(31)27-20-12-22(35-3)21(30(33)34)10-15(20)2/h4-12H,13H2,1-3H3,(H,27,31)