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

Systemtic Name: 2-ethylsulfanyl-3-(4-methylphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 2-ethylsulfanyl-3-(p-tolyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 2-(ethylthio)-3-(4-methylphenyl)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 2-ethylsulfanyl-3-(4-methylphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 2-(ethylthio)-3-(p-tolyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C25H26N2OS MolecularWeight: 402.55174

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)C)C4(CCCC4)CC5=CC=CC=C52

Isomeric SMILES

CCSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)C)C4(CCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C25H26N2OS/c1-3-29-24-26-22-20-9-5-4-8-18(20)16-25(14-6-7-15-25)21(22)23(28)27(24)19-12-10-17(2)11-13-19/h4-5,8-13H,3,6-7,14-16H2,1-2H3