(5S)-5-cyclohexyl-5-methyl-2-(phenylmethylsulfanyl)-6H-benzo[h]quinazolin-4-olate

Systemtic Name: (5S)-5-cyclohexyl-5-methyl-2-(phenylmethylsulfanyl)-6H-benzo[h]quinazolin-4-olate Openeye Name: (5S)-2-benzylsulfanyl-5-cyclohexyl-5-methyl-6H-benzo[h]quinazolin-4-olate CAS Name: (5S)-5-cyclohexyl-5-methyl-2-(phenylmethylthio)-6H-benzo[h]quinazolin-4-olate IUPAC Name: (5S)-2-benzylsulfanyl-5-cyclohexyl-5-methyl-6H-benzo[h]quinazolin-4-olate Traditional Name: (5S)-2-(benzylthio)-5-cyclohexyl-5-methyl-6H-benzo[h]quinazolin-4-olate Formula: C26H27N2OS- MolecularWeight: 415.57038

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C3=C1C(=NC(=N3)SCC4=CC=CC=C4)[O-])C5CCCCC5

Isomeric SMILES

C[C@]1(CC2=CC=CC=C2C3=C1C(=NC(=N3)SCC4=CC=CC=C4)[O-])C5CCCCC5

InChI

InChI=1S/C26H28N2OS/c1-26(20-13-6-3-7-14-20)16-19-12-8-9-15-21(19)23-22(26)24(29)28-25(27-23)30-17-18-10-4-2-5-11-18/h2,4-5,8-12,15,20H,3,6-7,13-14,16-17H2,1H3,(H,27,28,29)/p-1/t26-/m0/s1