3-ethyl-2-[(4-methylphenyl)methylsulfanyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one

Systemtic Name: 3-ethyl-2-[(4-methylphenyl)methylsulfanyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 3-ethyl-2-(p-tolylmethylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 3-ethyl-2-[(4-methylphenyl)methylthio]-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 3-ethyl-2-[(4-methylphenyl)methylsulfanyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 3-ethyl-2-[(4-methylbenzyl)thio]spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C26H28N2OS MolecularWeight: 416.57832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SCC5=CC=C(C=C5)C

Isomeric SMILES

CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SCC5=CC=C(C=C5)C

InChI

InChI=1S/C26H28N2OS/c1-3-28-24(29)22-23(27-25(28)30-17-19-12-10-18(2)11-13-19)21-9-5-4-8-20(21)16-26(22)14-6-7-15-26/h4-5,8-13H,3,6-7,14-17H2,1-2H3