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

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]-3-(2-methylprop-2-enyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 3-(2-methylallyl)-2-(p-tolylmethylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 2-[(4-methylphenyl)methylthio]-3-(2-methylprop-2-enyl)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 2-[(4-methylphenyl)methylsulfanyl]-3-(2-methylprop-2-enyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 3-(2-methylallyl)-2-[(4-methylbenzyl)thio]spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C28H30N2OS MolecularWeight: 442.6156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(C(=O)N2CC(=C)C)C4(CCCC4)CC5=CC=CC=C53

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(C(=O)N2CC(=C)C)C4(CCCC4)CC5=CC=CC=C53

InChI

InChI=1S/C28H30N2OS/c1-19(2)17-30-26(31)24-25(29-27(30)32-18-21-12-10-20(3)11-13-21)23-9-5-4-8-22(23)16-28(24)14-6-7-15-28/h4-5,8-13H,1,6-7,14-18H2,2-3H3