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

Systemtic Name: 2-butylsulfanyl-3-(2-methylphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 2-butylsulfanyl-3-(o-tolyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 2-(butylthio)-3-(2-methylphenyl)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 2-butylsulfanyl-3-(2-methylphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 2-(butylthio)-3-(o-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=C3C)C4(CCCC4)CC5=CC=CC=C52

Isomeric SMILES

CCCCSC1=NC2=C(C(=O)N1C3=CC=CC=C3C)C4(CCCC4)CC5=CC=CC=C52

InChI

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