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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCCC6=CC=CC=C6

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCCC6=CC=CC=C6

InChI

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