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

Systemtic Name: 3-(3-methoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 3-(3-methoxyphenyl)-2-(m-tolylmethylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 3-(3-methoxyphenyl)-2-[(3-methylphenyl)methylthio]-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 3-(3-methoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 3-(3-methoxyphenyl)-2-[(3-methylbenzyl)thio]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C32H32N2O2S MolecularWeight: 508.67368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC3=C(C(=O)N2C4=CC(=CC=C4)OC)C5(CCCCC5)CC6=CC=CC=C63

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC3=C(C(=O)N2C4=CC(=CC=C4)OC)C5(CCCCC5)CC6=CC=CC=C63

InChI

InChI=1S/C32H32N2O2S/c1-22-10-8-11-23(18-22)21-37-31-33-29-27-15-5-4-12-24(27)20-32(16-6-3-7-17-32)28(29)30(35)34(31)25-13-9-14-26(19-25)36-2/h4-5,8-15,18-19H,3,6-7,16-17,20-21H2,1-2H3