2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-iodanyl-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-iodanyl-3-(phenylmethyl)quinazolin-4-one Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-benzyl-6-iodo-quinazolin-4-one CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-6-iodo-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-benzyl-6-iodoquinazolin-4-one Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-3-benzyl-6-iodo-quinazolin-4-one Formula: C23H17IN4OS MolecularWeight: 524.37675

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)N=C2SCC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)N=C2SCC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C23H17IN4OS/c24-16-10-11-18-17(12-16)22(29)28(13-15-6-2-1-3-7-15)23(27-18)30-14-21-25-19-8-4-5-9-20(19)26-21/h1-12H,13-14H2,(H,25,26)