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

Systemtic Name: 4-[3-(2-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[3-(2-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[3-(2-chlorophenyl)-4-oxo-2-quinazolinyl]thio]-3-nitrobenzamide IUPAC Name: 4-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[3-(2-chlorophenyl)-4-keto-quinazolin-2-yl]thio]-3-nitro-benzamide Formula: C21H13ClN4O4S MolecularWeight: 452.87032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])C4=CC=CC=C4Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])C4=CC=CC=C4Cl

InChI

InChI=1S/C21H13ClN4O4S/c22-14-6-2-4-8-16(14)25-20(28)13-5-1-3-7-15(13)24-21(25)31-18-10-9-12(19(23)27)11-17(18)26(29)30/h1-11H,(H2,23,27)