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

Systemtic Name: 3-(2-methylphenyl)-2-(2-methylprop-2-enylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 2-(2-methylallylsulfanyl)-3-(o-tolyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 3-(2-methylphenyl)-2-(2-methylprop-2-enylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 3-(2-methylphenyl)-2-(2-methylprop-2-enylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 2-(2-methylallylthio)-3-(o-tolyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C27H28N2OS MolecularWeight: 428.58902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC(=C)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC(=C)C

InChI

InChI=1S/C27H28N2OS/c1-18(2)17-31-26-28-24-21-12-6-5-11-20(21)16-27(14-8-9-15-27)23(24)25(30)29(26)22-13-7-4-10-19(22)3/h4-7,10-13H,1,8-9,14-17H2,2-3H3