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

Systemtic Name: 3-(4-methoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 3-(4-methoxyphenyl)-2-(o-tolylmethylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 3-(4-methoxyphenyl)-2-[(2-methylphenyl)methylthio]-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 3-(4-methoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 3-(4-methoxyphenyl)-2-[(2-methylbenzyl)thio]spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C31H30N2O2S MolecularWeight: 494.6471

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)OC)C5(CCCC5)CC6=CC=CC=C63

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)OC)C5(CCCC5)CC6=CC=CC=C63

InChI

InChI=1S/C31H30N2O2S/c1-21-9-3-4-11-23(21)20-36-30-32-28-26-12-6-5-10-22(26)19-31(17-7-8-18-31)27(28)29(34)33(30)24-13-15-25(35-2)16-14-24/h3-6,9-16H,7-8,17-20H2,1-2H3