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

Systemtic Name: (5S)-5-cyclohexyl-5-methyl-2-prop-2-enylsulfanyl-6H-benzo[h]quinazolin-4-olate Openeye Name: (5S)-2-allylsulfanyl-5-cyclohexyl-5-methyl-6H-benzo[h]quinazolin-4-olate CAS Name: (5S)-5-cyclohexyl-5-methyl-2-(prop-2-enylthio)-6H-benzo[h]quinazolin-4-olate IUPAC Name: (5S)-5-cyclohexyl-5-methyl-2-prop-2-enylsulfanyl-6H-benzo[h]quinazolin-4-olate Traditional Name: (5S)-2-(allylthio)-5-cyclohexyl-5-methyl-6H-benzo[h]quinazolin-4-olate Formula: C22H25N2OS- MolecularWeight: 365.5117

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C3=C1C(=NC(=N3)SCC=C)[O-])C4CCCCC4

Isomeric SMILES

C[C@]1(CC2=CC=CC=C2C3=C1C(=NC(=N3)SCC=C)[O-])C4CCCCC4

InChI

InChI=1S/C22H26N2OS/c1-3-13-26-21-23-19-17-12-8-7-9-15(17)14-22(2,18(19)20(25)24-21)16-10-5-4-6-11-16/h3,7-9,12,16H,1,4-6,10-11,13-14H2,2H3,(H,23,24,25)/p-1/t22-/m0/s1