2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-3-(4-fluorophenyl)quinazolin-4-one

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-3-(4-fluorophenyl)quinazolin-4-one Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-3-(4-fluorophenyl)quinazolin-4-one CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-3-(4-fluorophenyl)-4-quinazolinone IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-3-(4-fluorophenyl)quinazolin-4-one Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-3-(4-fluorophenyl)quinazolin-4-one Formula: C26H25FN2O2S MolecularWeight: 448.552303

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NC5=CC=CC=C5C(=O)N4C6=CC=C(C=C6)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NC5=CC=CC=C5C(=O)N4C6=CC=C(C=C6)F

InChI

InChI=1S/C26H25FN2O2S/c27-19-5-7-20(8-6-19)29-24(31)21-3-1-2-4-22(21)28-25(29)32-15-23(30)26-12-16-9-17(13-26)11-18(10-16)14-26/h1-8,16-18H,9-15H2