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

Systemtic Name: 2-hexylsulfanyl-3-(4-methylphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 2-hexylsulfanyl-3-(p-tolyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 2-(hexylthio)-3-(4-methylphenyl)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 2-hexylsulfanyl-3-(4-methylphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 2-(hexylthio)-3-(p-tolyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C29H34N2OS MolecularWeight: 458.65806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)C)C4(CCCC4)CC5=CC=CC=C52

Isomeric SMILES

CCCCCCSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)C)C4(CCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C29H34N2OS/c1-3-4-5-10-19-33-28-30-26-24-12-7-6-11-22(24)20-29(17-8-9-18-29)25(26)27(32)31(28)23-15-13-21(2)14-16-23/h6-7,11-16H,3-5,8-10,17-20H2,1-2H3