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

Systemtic Name: 2-[(2,4-dimethylphenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-[(2,4-dimethylphenyl)methylsulfanyl]-3-(p-tolylmethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 2-[(2,4-dimethylphenyl)methylthio]-3-[(4-methylphenyl)methyl]-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 2-[(2,4-dimethylphenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-[(2,4-dimethylbenzyl)thio]-3-(4-methylbenzyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C34H36N2OS MolecularWeight: 520.72744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC6=C(C=C(C=C6)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC6=C(C=C(C=C6)C)C

InChI

InChI=1S/C34H36N2OS/c1-23-11-14-26(15-12-23)21-36-32(37)30-31(35-33(36)38-22-28-16-13-24(2)19-25(28)3)29-10-6-5-9-27(29)20-34(30)17-7-4-8-18-34/h5-6,9-16,19H,4,7-8,17-18,20-22H2,1-3H3