2-hexylsulfanyl-6-iodanyl-3-(2-methylprop-2-enyl)quinazolin-4-one

Systemtic Name: 2-hexylsulfanyl-6-iodanyl-3-(2-methylprop-2-enyl)quinazolin-4-one Openeye Name: 2-hexylsulfanyl-6-iodo-3-(2-methylallyl)quinazolin-4-one CAS Name: 2-(hexylthio)-6-iodo-3-(2-methylprop-2-enyl)-4-quinazolinone IUPAC Name: 2-hexylsulfanyl-6-iodo-3-(2-methylprop-2-enyl)quinazolin-4-one Traditional Name: 2-(hexylthio)-6-iodo-3-(2-methylallyl)quinazolin-4-one Formula: C18H23IN2OS MolecularWeight: 442.35749

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC2=C(C=C(C=C2)I)C(=O)N1CC(=C)C

Isomeric SMILES

CCCCCCSC1=NC2=C(C=C(C=C2)I)C(=O)N1CC(=C)C

InChI

InChI=1S/C18H23IN2OS/c1-4-5-6-7-10-23-18-20-16-9-8-14(19)11-15(16)17(22)21(18)12-13(2)3/h8-9,11H,2,4-7,10,12H2,1,3H3