4-[[7-chloranyl-3-(3-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-3-nitro-benzamide

Systemtic Name: 4-[[7-chloranyl-3-(3-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[[7-chloro-3-(m-tolyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[[7-chloro-3-(3-methylphenyl)-4-oxo-2-quinazolinyl]thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[[7-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[[7-chloro-4-keto-3-(m-tolyl)quinazolin-2-yl]thio]methyl]-3-nitro-benzamide Formula: C23H17ClN4O4S MolecularWeight: 480.92348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C23H17ClN4O4S/c1-13-3-2-4-17(9-13)27-22(30)18-8-7-16(24)11-19(18)26-23(27)33-12-15-6-5-14(21(25)29)10-20(15)28(31)32/h2-11H,12H2,1H3,(H2,25,29)