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

Systemtic Name: 3-ethyl-2-[(2-methylphenyl)methylsulfanyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 3-ethyl-2-(o-tolylmethylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 3-ethyl-2-[(2-methylphenyl)methylthio]-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 3-ethyl-2-[(2-methylphenyl)methylsulfanyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 3-ethyl-2-[(2-methylbenzyl)thio]spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C26H28N2OS MolecularWeight: 416.57832

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SCC5=CC=CC=C5C

Isomeric SMILES

CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SCC5=CC=CC=C5C

InChI

InChI=1S/C26H28N2OS/c1-3-28-24(29)22-23(27-25(28)30-17-20-12-5-4-10-18(20)2)21-13-7-6-11-19(21)16-26(22)14-8-9-15-26/h4-7,10-13H,3,8-9,14-17H2,1-2H3