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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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