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

Systemtic Name: 3-(4-methylphenyl)-2-phenethylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 2-phenethylsulfanyl-3-(p-tolyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 3-(4-methylphenyl)-2-(phenethylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 3-(4-methylphenyl)-2-phenethylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 2-(phenethylthio)-3-(p-tolyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C31H30N2OS MolecularWeight: 478.6477

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCCC6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCCC6=CC=CC=C6

InChI

InChI=1S/C31H30N2OS/c1-22-13-15-25(16-14-22)33-29(34)27-28(32-30(33)35-20-17-23-9-3-2-4-10-23)26-12-6-5-11-24(26)21-31(27)18-7-8-19-31/h2-6,9-16H,7-8,17-21H2,1H3