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

Systemtic Name: 2-hexylsulfanyl-3-(2-methylphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-hexylsulfanyl-3-(o-tolyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 2-(hexylthio)-3-(2-methylphenyl)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 2-hexylsulfanyl-3-(2-methylphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-(hexylthio)-3-(o-tolyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C30H36N2OS MolecularWeight: 472.68464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC2=C(C(=O)N1C3=CC=CC=C3C)C4(CCCCC4)CC5=CC=CC=C52

Isomeric SMILES

CCCCCCSC1=NC2=C(C(=O)N1C3=CC=CC=C3C)C4(CCCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C30H36N2OS/c1-3-4-5-13-20-34-29-31-27-24-16-9-8-15-23(24)21-30(18-11-6-12-19-30)26(27)28(33)32(29)25-17-10-7-14-22(25)2/h7-10,14-17H,3-6,11-13,18-21H2,1-2H3