2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-3-(3,5-dimethylphenyl)quinazolin-4-one

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-3-(3,5-dimethylphenyl)quinazolin-4-one Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-3-(3,5-dimethylphenyl)quinazolin-4-one CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-3-(3,5-dimethylphenyl)-4-quinazolinone IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-3-(3,5-dimethylphenyl)quinazolin-4-one Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-3-(3,5-dimethylphenyl)quinazolin-4-one Formula: C28H30N2O2S MolecularWeight: 458.615

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C45CC6CC(C4)CC(C6)C5)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C45CC6CC(C4)CC(C6)C5)C

InChI

InChI=1S/C28H30N2O2S/c1-17-7-18(2)9-22(8-17)30-26(32)23-5-3-4-6-24(23)29-27(30)33-16-25(31)28-13-19-10-20(14-28)12-21(11-19)15-28/h3-9,19-21H,10-16H2,1-2H3