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

Systemtic Name: 3-(4-methylphenyl)-2-[(4-methylphenyl)methylsulfanyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 3-(p-tolyl)-2-(p-tolylmethylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 3-(4-methylphenyl)-2-[(4-methylphenyl)methylthio]-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 3-(4-methylphenyl)-2-[(4-methylphenyl)methylsulfanyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 2-[(4-methylbenzyl)thio]-3-(p-tolyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C31H30N2OS MolecularWeight: 478.6477

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)C)C5(CCCC5)CC6=CC=CC=C63

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)C)C5(CCCC5)CC6=CC=CC=C63

InChI

InChI=1S/C31H30N2OS/c1-21-9-13-23(14-10-21)20-35-30-32-28-26-8-4-3-7-24(26)19-31(17-5-6-18-31)27(28)29(34)33(30)25-15-11-22(2)12-16-25/h3-4,7-16H,5-6,17-20H2,1-2H3