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

Systemtic Name: 6-iodanyl-3-(4-methylphenyl)-2-phenethylsulfanyl-quinazolin-4-one Openeye Name: 6-iodo-2-phenethylsulfanyl-3-(p-tolyl)quinazolin-4-one CAS Name: 6-iodo-3-(4-methylphenyl)-2-(phenethylthio)-4-quinazolinone IUPAC Name: 6-iodo-3-(4-methylphenyl)-2-phenethylsulfanylquinazolin-4-one Traditional Name: 6-iodo-2-(phenethylthio)-3-(p-tolyl)quinazolin-4-one Formula: C23H19IN2OS MolecularWeight: 498.37923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)I)N=C2SCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)I)N=C2SCCC4=CC=CC=C4

InChI

InChI=1S/C23H19IN2OS/c1-16-7-10-19(11-8-16)26-22(27)20-15-18(24)9-12-21(20)25-23(26)28-14-13-17-5-3-2-4-6-17/h2-12,15H,13-14H2,1H3