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

Systemtic Name: 2-[(3-methylphenyl)methylsulfanyl]-3-prop-2-enyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 3-allyl-2-(m-tolylmethylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 2-[(3-methylphenyl)methylthio]-3-prop-2-enyl-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 2-[(3-methylphenyl)methylsulfanyl]-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 3-allyl-2-[(3-methylbenzyl)thio]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C28H30N2OS MolecularWeight: 442.6156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N2OS/c1-3-16-30-26(31)24-25(29-27(30)32-19-21-11-9-10-20(2)17-21)23-13-6-5-12-22(23)18-28(24)14-7-4-8-15-28/h3,5-6,9-13,17H,1,4,7-8,14-16,18-19H2,2H3