3-(1-adamantyl)-2-[(3-bromophenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(1-adamantyl)-2-[(3-bromophenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(1-adamantyl)-2-[(3-bromophenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(1-adamantyl)-2-[(3-bromophenyl)methylthio]-4-quinazolinone IUPAC Name: 3-(1-adamantyl)-2-[(3-bromophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(1-adamantyl)-2-[(3-bromobenzyl)thio]quinazolin-4-one Formula: C25H25BrN2OS MolecularWeight: 481.4478

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C(=O)C5=CC=CC=C5N=C4SCC6=CC(=CC=C6)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C(=O)C5=CC=CC=C5N=C4SCC6=CC(=CC=C6)Br

InChI

InChI=1S/C25H25BrN2OS/c26-20-5-3-4-16(11-20)15-30-24-27-22-7-2-1-6-21(22)23(29)28(24)25-12-17-8-18(13-25)10-19(9-17)14-25/h1-7,11,17-19H,8-10,12-15H2