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

Systemtic Name: 2-hexylsulfanyl-6-iodanyl-3-(3-methylphenyl)quinazolin-4-one Openeye Name: 2-hexylsulfanyl-6-iodo-3-(m-tolyl)quinazolin-4-one CAS Name: 2-(hexylthio)-6-iodo-3-(3-methylphenyl)-4-quinazolinone IUPAC Name: 2-hexylsulfanyl-6-iodo-3-(3-methylphenyl)quinazolin-4-one Traditional Name: 2-(hexylthio)-6-iodo-3-(m-tolyl)quinazolin-4-one Formula: C21H23IN2OS MolecularWeight: 478.38959

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC2=C(C=C(C=C2)I)C(=O)N1C3=CC=CC(=C3)C

Isomeric SMILES

CCCCCCSC1=NC2=C(C=C(C=C2)I)C(=O)N1C3=CC=CC(=C3)C

InChI

InChI=1S/C21H23IN2OS/c1-3-4-5-6-12-26-21-23-19-11-10-16(22)14-18(19)20(25)24(21)17-9-7-8-15(2)13-17/h7-11,13-14H,3-6,12H2,1-2H3