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

Systemtic Name: 3-(3-methoxyphenyl)-2-phenethylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 3-(3-methoxyphenyl)-2-phenethylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 3-(3-methoxyphenyl)-2-(phenethylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 3-(3-methoxyphenyl)-2-phenethylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 3-(3-methoxyphenyl)-2-(phenethylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C31H30N2O2S MolecularWeight: 494.6471

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCCC6=CC=CC=C6

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCCC6=CC=CC=C6

InChI

InChI=1S/C31H30N2O2S/c1-35-25-14-9-13-24(20-25)33-29(34)27-28(32-30(33)36-19-16-22-10-3-2-4-11-22)26-15-6-5-12-23(26)21-31(27)17-7-8-18-31/h2-6,9-15,20H,7-8,16-19,21H2,1H3