6-iodanyl-2-[(4-nitrophenyl)methylsulfanyl]-3-phenyl-quinazolin-4-one

Systemtic Name: 6-iodanyl-2-[(4-nitrophenyl)methylsulfanyl]-3-phenyl-quinazolin-4-one Openeye Name: 6-iodo-2-[(4-nitrophenyl)methylsulfanyl]-3-phenyl-quinazolin-4-one CAS Name: 6-iodo-2-[(4-nitrophenyl)methylthio]-3-phenyl-4-quinazolinone IUPAC Name: 6-iodo-2-[(4-nitrophenyl)methylsulfanyl]-3-phenylquinazolin-4-one Traditional Name: 6-iodo-2-[(4-nitrobenzyl)thio]-3-phenyl-quinazolin-4-one Formula: C21H14IN3O3S MolecularWeight: 515.32363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14IN3O3S/c22-15-8-11-19-18(12-15)20(26)24(16-4-2-1-3-5-16)21(23-19)29-13-14-6-9-17(10-7-14)25(27)28/h1-12H,13H2