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

Systemtic Name: 2-butylsulfanyl-3-(4-methylphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-butylsulfanyl-3-(p-tolyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 2-(butylthio)-3-(4-methylphenyl)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 2-butylsulfanyl-3-(4-methylphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-(butylthio)-3-(p-tolyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C28H32N2OS MolecularWeight: 444.63148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)C)C4(CCCCC4)CC5=CC=CC=C52

Isomeric SMILES

CCCCSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)C)C4(CCCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C28H32N2OS/c1-3-4-18-32-27-29-25-23-11-7-6-10-21(23)19-28(16-8-5-9-17-28)24(25)26(31)30(27)22-14-12-20(2)13-15-22/h6-7,10-15H,3-5,8-9,16-19H2,1-2H3