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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C=CC(=C3)I)N=C2SCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C=CC(=C3)I)N=C2SCCC4=CC=CC=C4

InChI

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