6-iodanyl-3-(3-methylphenyl)-2-(phenylmethylsulfanyl)quinazolin-4-one

Systemtic Name: 6-iodanyl-3-(3-methylphenyl)-2-(phenylmethylsulfanyl)quinazolin-4-one Openeye Name: 2-benzylsulfanyl-6-iodo-3-(m-tolyl)quinazolin-4-one CAS Name: 6-iodo-3-(3-methylphenyl)-2-(phenylmethylthio)-4-quinazolinone IUPAC Name: 2-benzylsulfanyl-6-iodo-3-(3-methylphenyl)quinazolin-4-one Traditional Name: 2-(benzylthio)-6-iodo-3-(m-tolyl)quinazolin-4-one Formula: C22H17IN2OS MolecularWeight: 484.35265

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C3=C(C=CC(=C3)I)N=C2SCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C3=C(C=CC(=C3)I)N=C2SCC4=CC=CC=C4

InChI

InChI=1S/C22H17IN2OS/c1-15-6-5-9-18(12-15)25-21(26)19-13-17(23)10-11-20(19)24-22(25)27-14-16-7-3-2-4-8-16/h2-13H,14H2,1H3