(5R)-5-cyclopentyl-2-[(E,5R)-5-phenylhex-2-enyl]sulfanyl-5,6-dihydrobenzo[h]quinazolin-4-olate

Systemtic Name: (5R)-5-cyclopentyl-2-[(E,5R)-5-phenylhex-2-enyl]sulfanyl-5,6-dihydrobenzo[h]quinazolin-4-olate Openeye Name: (5R)-5-cyclopentyl-2-[(E,5R)-5-phenylhex-2-enyl]sulfanyl-5,6-dihydrobenzo[h]quinazolin-4-olate CAS Name: (5R)-5-cyclopentyl-2-[[(E,5R)-5-phenylhex-2-enyl]thio]-5,6-dihydrobenzo[h]quinazolin-4-olate IUPAC Name: (5R)-5-cyclopentyl-2-[(E,5R)-5-phenylhex-2-enyl]sulfanyl-5,6-dihydrobenzo[h]quinazolin-4-olate Traditional Name: (5R)-5-cyclopentyl-2-[[(E,5R)-5-phenylhex-2-enyl]thio]-5,6-dihydrobenzo[h]quinazolin-4-olate Formula: C29H31N2OS- MolecularWeight: 455.63424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC=CCSC1=NC2=C(C(CC3=CC=CC=C32)C4CCCC4)C(=N1)[O-])C5=CC=CC=C5

Isomeric SMILES

C[C@H](C/C=C/CSC1=NC2=C([C@H](CC3=CC=CC=C32)C4CCCC4)C(=N1)[O-])C5=CC=CC=C5

InChI

InChI=1S/C29H32N2OS/c1-20(21-12-3-2-4-13-21)11-9-10-18-33-29-30-27-24-17-8-7-16-23(24)19-25(22-14-5-6-15-22)26(27)28(32)31-29/h2-4,7-10,12-13,16-17,20,22,25H,5-6,11,14-15,18-19H2,1H3,(H,30,31,32)/p-1/b10-9+/t20-,25-/m1/s1