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

Systemtic Name: 2-[(2,4-dimethylphenyl)methylsulfanyl]-3-(2-methylprop-2-enyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-[(2,4-dimethylphenyl)methylsulfanyl]-3-(2-methylallyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 2-[(2,4-dimethylphenyl)methylthio]-3-(2-methylprop-2-enyl)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 2-[(2,4-dimethylphenyl)methylsulfanyl]-3-(2-methylprop-2-enyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-[(2,4-dimethylbenzyl)thio]-3-(2-methylallyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C30H34N2OS MolecularWeight: 470.66876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CSC2=NC3=C(C(=O)N2CC(=C)C)C4(CCCCC4)CC5=CC=CC=C53)C

Isomeric SMILES

CC1=CC(=C(C=C1)CSC2=NC3=C(C(=O)N2CC(=C)C)C4(CCCCC4)CC5=CC=CC=C53)C

InChI

InChI=1S/C30H34N2OS/c1-20(2)18-32-28(33)26-27(31-29(32)34-19-24-13-12-21(3)16-22(24)4)25-11-7-6-10-23(25)17-30(26)14-8-5-9-15-30/h6-7,10-13,16H,1,5,8-9,14-15,17-19H2,2-4H3