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

Systemtic Name: 2-ethylsulfanyl-3-(2-methylphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 2-ethylsulfanyl-3-(o-tolyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 2-(ethylthio)-3-(2-methylphenyl)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 2-ethylsulfanyl-3-(2-methylphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 2-(ethylthio)-3-(o-tolyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C25H26N2OS MolecularWeight: 402.55174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C(=O)N1C3=CC=CC=C3C)C4(CCCC4)CC5=CC=CC=C52

Isomeric SMILES

CCSC1=NC2=C(C(=O)N1C3=CC=CC=C3C)C4(CCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C25H26N2OS/c1-3-29-24-26-22-19-12-6-5-11-18(19)16-25(14-8-9-15-25)21(22)23(28)27(24)20-13-7-4-10-17(20)2/h4-7,10-13H,3,8-9,14-16H2,1-2H3