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

Systemtic Name: 3-(2-methylprop-2-enyl)-2-phenethylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 3-(2-methylallyl)-2-phenethylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 3-(2-methylprop-2-enyl)-2-(phenethylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 3-(2-methylprop-2-enyl)-2-phenethylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 3-(2-methylallyl)-2-(phenethylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C28H30N2OS MolecularWeight: 442.6156

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SCCC5=CC=CC=C5

Isomeric SMILES

CC(=C)CN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SCCC5=CC=CC=C5

InChI

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