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

Systemtic Name: 2-methoxy-3-[(4-methylsulfanylphenyl)methyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-methoxy-3-[(4-methylsulfanylphenyl)methyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 2-methoxy-3-[[4-(methylthio)phenyl]methyl]-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 2-methoxy-3-[(4-methylsulfanylphenyl)methyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-methoxy-3-[4-(methylthio)benzyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C26H28N2O2S MolecularWeight: 432.57772

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC2=C(C(=O)N1CC3=CC=C(C=C3)SC)C4(CCCCC4)CC5=CC=CC=C52

Isomeric SMILES

COC1=NC2=C(C(=O)N1CC3=CC=C(C=C3)SC)C4(CCCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C26H28N2O2S/c1-30-25-27-23-21-9-5-4-8-19(21)16-26(14-6-3-7-15-26)22(23)24(29)28(25)17-18-10-12-20(31-2)13-11-18/h4-5,8-13H,3,6-7,14-17H2,1-2H3