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

Systemtic Name: 3-(2-methylprop-2-enyl)-2-phenethylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 3-(2-methylallyl)-2-phenethylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 3-(2-methylprop-2-enyl)-2-(phenethylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 3-(2-methylprop-2-enyl)-2-phenethylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 3-(2-methylallyl)-2-(phenethylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C29H32N2OS MolecularWeight: 456.64218

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCCC5=CC=CC=C5

Isomeric SMILES

CC(=C)CN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCCC5=CC=CC=C5

InChI

InChI=1S/C29H32N2OS/c1-21(2)20-31-27(32)25-26(30-28(31)33-18-15-22-11-5-3-6-12-22)24-14-8-7-13-23(24)19-29(25)16-9-4-10-17-29/h3,5-8,11-14H,1,4,9-10,15-20H2,2H3