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

Systemtic Name: 6-iodanyl-3-(4-methylphenyl)-2-phenacylsulfanyl-quinazolin-4-one Openeye Name: 6-iodo-2-phenacylsulfanyl-3-(p-tolyl)quinazolin-4-one CAS Name: 6-iodo-3-(4-methylphenyl)-2-(phenacylthio)-4-quinazolinone IUPAC Name: 6-iodo-3-(4-methylphenyl)-2-phenacylsulfanylquinazolin-4-one Traditional Name: 6-iodo-2-(phenacylthio)-3-(p-tolyl)quinazolin-4-one Formula: C23H17IN2O2S MolecularWeight: 512.36275

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)I)N=C2SCC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)I)N=C2SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H17IN2O2S/c1-15-7-10-18(11-8-15)26-22(28)19-13-17(24)9-12-20(19)25-23(26)29-14-21(27)16-5-3-2-4-6-16/h2-13H,14H2,1H3