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

Systemtic Name: 2-hexylsulfanyl-3-(3-methylphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-hexylsulfanyl-3-(m-tolyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 2-(hexylthio)-3-(3-methylphenyl)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 2-hexylsulfanyl-3-(3-methylphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-(hexylthio)-3-(m-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(=C3)C)C4(CCCCC4)CC5=CC=CC=C52

Isomeric SMILES

CCCCCCSC1=NC2=C(C(=O)N1C3=CC=CC(=C3)C)C4(CCCCC4)CC5=CC=CC=C52

InChI

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