4-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-nitro-benzamide Openeye Name: 3-nitro-4-[3-(o-tolyl)-4-oxo-quinazolin-2-yl]sulfanyl-benzamide CAS Name: 4-[[3-(2-methylphenyl)-4-oxo-2-quinazolinyl]thio]-3-nitrobenzamide IUPAC Name: 4-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[4-keto-3-(o-tolyl)quinazolin-2-yl]thio]-3-nitro-benzamide Formula: C22H16N4O4S MolecularWeight: 432.45184

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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)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H16N4O4S/c1-13-6-2-5-9-17(13)25-21(28)15-7-3-4-8-16(15)24-22(25)31-19-11-10-14(20(23)27)12-18(19)26(29)30/h2-12H,1H3,(H2,23,27)