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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=C(C(=C4)C)C)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=C(C(=C4)C)C)[N+](=O)[O-])Cl

InChI

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