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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC3=C(C(=O)N2CC=C)C4(CCCCC4)CC5=CC=CC=C53

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC3=C(C(=O)N2CC=C)C4(CCCCC4)CC5=CC=CC=C53

InChI

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