(5R)-5-cyclohexyl-5-methyl-2-[(E,5R)-5-phenylhex-2-enyl]sulfanyl-6H-benzo[h]quinazolin-4-olate

Systemtic Name: (5R)-5-cyclohexyl-5-methyl-2-[(E,5R)-5-phenylhex-2-enyl]sulfanyl-6H-benzo[h]quinazolin-4-olate Openeye Name: (5R)-5-cyclohexyl-5-methyl-2-[(E,5R)-5-phenylhex-2-enyl]sulfanyl-6H-benzo[h]quinazolin-4-olate CAS Name: (5R)-5-cyclohexyl-5-methyl-2-[[(E,5R)-5-phenylhex-2-enyl]thio]-6H-benzo[h]quinazolin-4-olate IUPAC Name: (5R)-5-cyclohexyl-5-methyl-2-[(E,5R)-5-phenylhex-2-enyl]sulfanyl-6H-benzo[h]quinazolin-4-olate Traditional Name: (5R)-5-cyclohexyl-5-methyl-2-[[(E,5R)-5-phenylhex-2-enyl]thio]-6H-benzo[h]quinazolin-4-olate Formula: C31H35N2OS- MolecularWeight: 483.6874

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC=CCSC1=NC2=C(C(=N1)[O-])C(CC3=CC=CC=C32)(C)C4CCCCC4)C5=CC=CC=C5

Isomeric SMILES

C[C@H](C/C=C/CSC1=NC2=C(C(=N1)[O-])[C@@](CC3=CC=CC=C32)(C)C4CCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C31H36N2OS/c1-22(23-14-5-3-6-15-23)13-11-12-20-35-30-32-28-26-19-10-9-16-24(26)21-31(2,27(28)29(34)33-30)25-17-7-4-8-18-25/h3,5-6,9-12,14-16,19,22,25H,4,7-8,13,17-18,20-21H2,1-2H3,(H,32,33,34)/p-1/b12-11+/t22-,31-/m1/s1