2-(1H-imidazo[4,5-f][2,1,3]benzothiadiazol-6-ylsulfanylmethyl)-6-iodanyl-3-phenyl-quinazolin-4-one

Systemtic Name: 2-(1H-imidazo[4,5-f][2,1,3]benzothiadiazol-6-ylsulfanylmethyl)-6-iodanyl-3-phenyl-quinazolin-4-one Openeye Name: 2-(1H-imidazo[4,5-f][2,1,3]benzothiadiazol-6-ylsulfanylmethyl)-6-iodo-3-phenyl-quinazolin-4-one CAS Name: 2-[(1H-imidazo[4,5-f][2,1,3]benzothiadiazol-6-ylthio)methyl]-6-iodo-3-phenyl-4-quinazolinone IUPAC Name: 2-(1H-imidazo[4,5-f][2,1,3]benzothiadiazol-6-ylsulfanylmethyl)-6-iodo-3-phenylquinazolin-4-one Traditional Name: 2-[(1H-imidazo[4,5-f][2,1,3]benzothiadiazol-6-ylthio)methyl]-6-iodo-3-phenyl-quinazolin-4-one Formula: C22H13IN6OS2 MolecularWeight: 568.41269

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)I)CSC4=NC5=CC6=NSNC6=CC5=N4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)I)CSC4=NC5=CC6=NSNC6=CC5=N4

InChI

InChI=1S/C22H13IN6OS2/c23-12-6-7-15-14(8-12)21(30)29(13-4-2-1-3-5-13)20(24-15)11-31-22-25-16-9-18-19(28-32-27-18)10-17(16)26-22/h1-10,27H,11H2