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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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