4-[2-(4-nitrophenyl)ethynyl]-9-phenylsulfanyl-2,3-dihydro-1H-thioxanthene

Systemtic Name: 4-[2-(4-nitrophenyl)ethynyl]-9-phenylsulfanyl-2,3-dihydro-1H-thioxanthene Openeye Name: 4-[2-(4-nitrophenyl)ethynyl]-9-phenylsulfanyl-2,3-dihydro-1H-thioxanthene CAS Name: 4-[2-(4-nitrophenyl)ethynyl]-9-(phenylthio)-2,3-dihydro-1H-thioxanthene IUPAC Name: 4-[2-(4-nitrophenyl)ethynyl]-9-phenylsulfanyl-2,3-dihydro-1H-thioxanthene Traditional Name: 4-[2-(4-nitrophenyl)ethynyl]-9-(phenylthio)-2,3-dihydro-1H-thioxanthene Formula: C27H19NO2S2 MolecularWeight: 453.57526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C2C(=C(C3=CC=CC=C3S2)SC4=CC=CC=C4)C1)C#CC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CC(=C2C(=C(C3=CC=CC=C3S2)SC4=CC=CC=C4)C1)C#CC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H19NO2S2/c29-28(30)21-17-14-19(15-18-21)13-16-20-7-6-11-24-26(20)32-25-12-5-4-10-23(25)27(24)31-22-8-2-1-3-9-22/h1-5,8-10,12,14-15,17-18H,6-7,11H2