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

Systemtic Name: 6-iodanyl-3-(2-methylprop-2-enyl)-2-(phenylmethylsulfanyl)quinazolin-4-one Openeye Name: 2-benzylsulfanyl-6-iodo-3-(2-methylallyl)quinazolin-4-one CAS Name: 6-iodo-3-(2-methylprop-2-enyl)-2-(phenylmethylthio)-4-quinazolinone IUPAC Name: 2-benzylsulfanyl-6-iodo-3-(2-methylprop-2-enyl)quinazolin-4-one Traditional Name: 2-(benzylthio)-6-iodo-3-(2-methylallyl)quinazolin-4-one Formula: C19H17IN2OS MolecularWeight: 448.32055

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C(=O)C2=C(C=CC(=C2)I)N=C1SCC3=CC=CC=C3

Isomeric SMILES

CC(=C)CN1C(=O)C2=C(C=CC(=C2)I)N=C1SCC3=CC=CC=C3

InChI

InChI=1S/C19H17IN2OS/c1-13(2)11-22-18(23)16-10-15(20)8-9-17(16)21-19(22)24-12-14-6-4-3-5-7-14/h3-10H,1,11-12H2,2H3