3-(2-methylphenyl)-2-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)sulfanyl-quinazolin-4-one

Systemtic Name: 3-(2-methylphenyl)-2-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)sulfanyl-quinazolin-4-one Openeye Name: 2-(4-morpholinosulfonyl-2-nitro-phenyl)sulfanyl-3-(o-tolyl)quinazolin-4-one CAS Name: 3-(2-methylphenyl)-2-[[4-(4-morpholinylsulfonyl)-2-nitrophenyl]thio]-4-quinazolinone IUPAC Name: 3-(2-methylphenyl)-2-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)sulfanylquinazolin-4-one Traditional Name: 2-[(4-morpholinosulfonyl-2-nitro-phenyl)thio]-3-(o-tolyl)quinazolin-4-one Formula: C25H22N4O6S2 MolecularWeight: 538.59538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SC4=C(C=C(C=C4)S(=O)(=O)N5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SC4=C(C=C(C=C4)S(=O)(=O)N5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C25H22N4O6S2/c1-17-6-2-5-9-21(17)28-24(30)19-7-3-4-8-20(19)26-25(28)36-23-11-10-18(16-22(23)29(31)32)37(33,34)27-12-14-35-15-13-27/h2-11,16H,12-15H2,1H3