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

Systemtic Name: 2-heptylsulfanyl-6-iodanyl-3-(2-methylphenyl)quinazolin-4-one Openeye Name: 2-heptylsulfanyl-6-iodo-3-(o-tolyl)quinazolin-4-one CAS Name: 2-(heptylthio)-6-iodo-3-(2-methylphenyl)-4-quinazolinone IUPAC Name: 2-heptylsulfanyl-6-iodo-3-(2-methylphenyl)quinazolin-4-one Traditional Name: 2-(heptylthio)-6-iodo-3-(o-tolyl)quinazolin-4-one Formula: C22H25IN2OS MolecularWeight: 492.41617

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NC2=C(C=C(C=C2)I)C(=O)N1C3=CC=CC=C3C

Isomeric SMILES

CCCCCCCSC1=NC2=C(C=C(C=C2)I)C(=O)N1C3=CC=CC=C3C

InChI

InChI=1S/C22H25IN2OS/c1-3-4-5-6-9-14-27-22-24-19-13-12-17(23)15-18(19)21(26)25(22)20-11-8-7-10-16(20)2/h7-8,10-13,15H,3-6,9,14H2,1-2H3