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

Systemtic Name: 3-butyl-2-[(2-methylphenyl)methylsulfanyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 3-butyl-2-(o-tolylmethylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 3-butyl-2-[(2-methylphenyl)methylthio]-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 3-butyl-2-[(2-methylphenyl)methylsulfanyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 3-butyl-2-[(2-methylbenzyl)thio]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C29H34N2OS MolecularWeight: 458.65806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC5=CC=CC=C5C

Isomeric SMILES

CCCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC5=CC=CC=C5C

InChI

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