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

Systemtic Name: 3-(3-methylphenyl)-2-phenethylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 3-(m-tolyl)-2-phenethylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 3-(3-methylphenyl)-2-(phenethylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 3-(3-methylphenyl)-2-phenethylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 3-(m-tolyl)-2-(phenethylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C32H32N2OS MolecularWeight: 492.67428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCCC6=CC=CC=C6

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCCC6=CC=CC=C6

InChI

InChI=1S/C32H32N2OS/c1-23-11-10-15-26(21-23)34-30(35)28-29(33-31(34)36-20-17-24-12-4-2-5-13-24)27-16-7-6-14-25(27)22-32(28)18-8-3-9-19-32/h2,4-7,10-16,21H,3,8-9,17-20,22H2,1H3