6-iodanyl-3-methyl-2-phenethylsulfanyl-quinazolin-4-one

Systemtic Name: 6-iodanyl-3-methyl-2-phenethylsulfanyl-quinazolin-4-one Openeye Name: 6-iodo-3-methyl-2-phenethylsulfanyl-quinazolin-4-one CAS Name: 6-iodo-3-methyl-2-(phenethylthio)-4-quinazolinone IUPAC Name: 6-iodo-3-methyl-2-phenethylsulfanylquinazolin-4-one Traditional Name: 6-iodo-3-methyl-2-(phenethylthio)quinazolin-4-one Formula: C17H15IN2OS MolecularWeight: 422.28327

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=CC(=C2)I)N=C1SCCC3=CC=CC=C3

Isomeric SMILES

CN1C(=O)C2=C(C=CC(=C2)I)N=C1SCCC3=CC=CC=C3

InChI

InChI=1S/C17H15IN2OS/c1-20-16(21)14-11-13(18)7-8-15(14)19-17(20)22-10-9-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3