2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-3-methyl-benzo[g]quinazolin-4-one

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-3-methyl-benzo[g]quinazolin-4-one Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-3-methyl-benzo[g]quinazolin-4-one CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-3-methyl-4-benzo[g]quinazolinone IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-3-methylbenzo[g]quinazolin-4-one Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-3-methyl-benzo[g]quinazolin-4-one Formula: C25H26N2O2S MolecularWeight: 418.55114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC3=CC=CC=C3C=C2N=C1SCC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CN1C(=O)C2=CC3=CC=CC=C3C=C2N=C1SCC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H26N2O2S/c1-27-23(29)20-9-18-4-2-3-5-19(18)10-21(20)26-24(27)30-14-22(28)25-11-15-6-16(12-25)8-17(7-15)13-25/h2-5,9-10,15-17H,6-8,11-14H2,1H3