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

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-3-phenyl-quinazolin-4-one Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-3-phenyl-quinazolin-4-one CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-3-phenyl-4-quinazolinone IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-3-phenyl-quinazolin-4-one Formula: C26H26N2O2S MolecularWeight: 430.56184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O2S/c29-23(26-13-17-10-18(14-26)12-19(11-17)15-26)16-31-25-27-22-9-5-4-8-21(22)24(30)28(25)20-6-2-1-3-7-20/h1-9,17-19H,10-16H2