9-methyl-2-[(4-methylphenyl)methylsulfanyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-olate

Systemtic Name: 9-methyl-2-[(4-methylphenyl)methylsulfanyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-olate Openeye Name: 9-methyl-2-(p-tolylmethylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-olate CAS Name: 9-methyl-2-[(4-methylphenyl)methylthio]-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]olate IUPAC Name: 9-methyl-2-[(4-methylphenyl)methylsulfanyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-olate Traditional Name: 9-methyl-2-[(4-methylbenzyl)thio]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-olate Formula: C26H27N2OS- MolecularWeight: 415.57038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(C(=N2)[O-])C4(CCCCC4)CC5=C3C=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(C(=N2)[O-])C4(CCCCC4)CC5=C3C=C(C=C5)C

InChI

InChI=1S/C26H28N2OS/c1-17-6-9-19(10-7-17)16-30-25-27-23-21-14-18(2)8-11-20(21)15-26(12-4-3-5-13-26)22(23)24(29)28-25/h6-11,14H,3-5,12-13,15-16H2,1-2H3,(H,27,28,29)/p-1