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

Systemtic Name: 2-hexylsulfanyl-6-iodanyl-3-(2-methylphenyl)quinazolin-4-one Openeye Name: 2-hexylsulfanyl-6-iodo-3-(o-tolyl)quinazolin-4-one CAS Name: 2-(hexylthio)-6-iodo-3-(2-methylphenyl)-4-quinazolinone IUPAC Name: 2-hexylsulfanyl-6-iodo-3-(2-methylphenyl)quinazolin-4-one Traditional Name: 2-(hexylthio)-6-iodo-3-(o-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=C3C

Isomeric SMILES

CCCCCCSC1=NC2=C(C=C(C=C2)I)C(=O)N1C3=CC=CC=C3C

InChI

InChI=1S/C21H23IN2OS/c1-3-4-5-8-13-26-21-23-18-12-11-16(22)14-17(18)20(25)24(21)19-10-7-6-9-15(19)2/h6-7,9-12,14H,3-5,8,13H2,1-2H3