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

Systemtic Name: 3-methyl-2-(2-phenylsulfanylethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 3-methyl-2-(2-phenylsulfanylethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 3-methyl-2-[2-(phenylthio)ethyl]-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 3-methyl-2-(2-phenylsulfanylethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 3-methyl-2-[2-(phenylthio)ethyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C26H28N2OS MolecularWeight: 416.57832

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C(C1=O)C3(CCCCC3)CC4=CC=CC=C42)CCSC5=CC=CC=C5

Isomeric SMILES

CN1C(=NC2=C(C1=O)C3(CCCCC3)CC4=CC=CC=C42)CCSC5=CC=CC=C5

InChI

InChI=1S/C26H28N2OS/c1-28-22(14-17-30-20-11-4-2-5-12-20)27-24-21-13-7-6-10-19(21)18-26(23(24)25(28)29)15-8-3-9-16-26/h2,4-7,10-13H,3,8-9,14-18H2,1H3