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

Systemtic Name: 2-butylsulfanyl-6-iodanyl-3-(3-methylphenyl)quinazolin-4-one Openeye Name: 2-butylsulfanyl-6-iodo-3-(m-tolyl)quinazolin-4-one CAS Name: 2-(butylthio)-6-iodo-3-(3-methylphenyl)-4-quinazolinone IUPAC Name: 2-butylsulfanyl-6-iodo-3-(3-methylphenyl)quinazolin-4-one Traditional Name: 2-(butylthio)-6-iodo-3-(m-tolyl)quinazolin-4-one Formula: C19H19IN2OS MolecularWeight: 450.33643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C=C(C=C2)I)C(=O)N1C3=CC=CC(=C3)C

Isomeric SMILES

CCCCSC1=NC2=C(C=C(C=C2)I)C(=O)N1C3=CC=CC(=C3)C

InChI

InChI=1S/C19H19IN2OS/c1-3-4-10-24-19-21-17-9-8-14(20)12-16(17)18(23)22(19)15-7-5-6-13(2)11-15/h5-9,11-12H,3-4,10H2,1-2H3