5-ethyl-2-hexylsulfanyl-5-methyl-3-phenyl-6H-benzo[h]quinazolin-4-one

Systemtic Name: 5-ethyl-2-hexylsulfanyl-5-methyl-3-phenyl-6H-benzo[h]quinazolin-4-one Openeye Name: 5-ethyl-2-hexylsulfanyl-5-methyl-3-phenyl-6H-benzo[h]quinazolin-4-one CAS Name: 5-ethyl-2-(hexylthio)-5-methyl-3-phenyl-6H-benzo[h]quinazolin-4-one IUPAC Name: 5-ethyl-2-hexylsulfanyl-5-methyl-3-phenyl-6H-benzo[h]quinazolin-4-one Traditional Name: 5-ethyl-2-(hexylthio)-5-methyl-3-phenyl-6H-benzo[h]quinazolin-4-one Formula: C27H32N2OS MolecularWeight: 432.62078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC2=C(C(=O)N1C3=CC=CC=C3)C(CC4=CC=CC=C42)(C)CC

Isomeric SMILES

CCCCCCSC1=NC2=C(C(=O)N1C3=CC=CC=C3)C(CC4=CC=CC=C42)(C)CC

InChI

InChI=1S/C27H32N2OS/c1-4-6-7-13-18-31-26-28-24-22-17-12-11-14-20(22)19-27(3,5-2)23(24)25(30)29(26)21-15-9-8-10-16-21/h8-12,14-17H,4-7,13,18-19H2,1-3H3