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

Systemtic Name: 2-[3-(3-chloranyl-2-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4,5-dimethyl-2-nitro-phenyl)ethanamide Openeye Name: 2-[3-(3-chloro-2-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(4,5-dimethyl-2-nitro-phenyl)acetamide CAS Name: 2-[[3-(3-chloro-2-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-(4,5-dimethyl-2-nitrophenyl)acetamide IUPAC Name: 2-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4,5-dimethyl-2-nitrophenyl)acetamide Traditional Name: 2-[[3-(3-chloro-2-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]-N-(4,5-dimethyl-2-nitro-phenyl)acetamide Formula: C25H21ClN4O4S MolecularWeight: 508.97664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=C(C(=CC=C4)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=C(C(=CC=C4)Cl)C

InChI

InChI=1S/C25H21ClN4O4S/c1-14-11-20(22(30(33)34)12-15(14)2)27-23(31)13-35-25-28-19-9-5-4-7-17(19)24(32)29(25)21-10-6-8-18(26)16(21)3/h4-12H,13H2,1-3H3,(H,27,31)