2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-chloranyl-4-fluoranyl-phenyl)quinazolin-4-one

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-chloranyl-4-fluoranyl-phenyl)quinazolin-4-one Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-3-(3-chloro-4-fluoro-phenyl)quinazolin-4-one CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-3-(3-chloro-4-fluorophenyl)-4-quinazolinone IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-3-(3-chloro-4-fluorophenyl)quinazolin-4-one Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-3-(3-chloro-4-fluoro-phenyl)quinazolin-4-one Formula: C26H24ClFN2O2S MolecularWeight: 482.997363

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H24ClFN2O2S/c27-20-10-18(5-6-21(20)28)30-24(32)19-3-1-2-4-22(19)29-25(30)33-14-23(31)26-11-15-7-16(12-26)9-17(8-15)13-26/h1-6,10,15-17H,7-9,11-14H2