2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-7-chloranyl-3-(2-methylphenyl)quinazolin-4-one

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-7-chloranyl-3-(2-methylphenyl)quinazolin-4-one Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-7-chloro-3-(o-tolyl)quinazolin-4-one CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-7-chloro-3-(2-methylphenyl)-4-quinazolinone IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-7-chloro-3-(2-methylphenyl)quinazolin-4-one Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-7-chloro-3-(o-tolyl)quinazolin-4-one Formula: C27H27ClN2O2S MolecularWeight: 479.03348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H27ClN2O2S/c1-16-4-2-3-5-23(16)30-25(32)21-7-6-20(28)11-22(21)29-26(30)33-15-24(31)27-12-17-8-18(13-27)10-19(9-17)14-27/h2-7,11,17-19H,8-10,12-15H2,1H3