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

Systemtic Name: 2-butylsulfanyl-3-(3-methylphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 2-butylsulfanyl-3-(m-tolyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 2-(butylthio)-3-(3-methylphenyl)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 2-butylsulfanyl-3-(3-methylphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 2-(butylthio)-3-(m-tolyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C27H30N2OS MolecularWeight: 430.6049

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(=O)N1C3=CC=CC(=C3)C)C4(CCCC4)CC5=CC=CC=C52

Isomeric SMILES

CCCCSC1=NC2=C(C(=O)N1C3=CC=CC(=C3)C)C4(CCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C27H30N2OS/c1-3-4-16-31-26-28-24-22-13-6-5-11-20(22)18-27(14-7-8-15-27)23(24)25(30)29(26)21-12-9-10-19(2)17-21/h5-6,9-13,17H,3-4,7-8,14-16,18H2,1-2H3