2,3-bis[3-[2-(4-phenylsulfanylphenyl)ethynyl]phenyl]quinoxaline

Systemtic Name: 2,3-bis[3-[2-(4-phenylsulfanylphenyl)ethynyl]phenyl]quinoxaline Openeye Name: 2,3-bis[3-[2-(4-phenylsulfanylphenyl)ethynyl]phenyl]quinoxaline CAS Name: 2,3-bis[3-[2-[4-(phenylthio)phenyl]ethynyl]phenyl]quinoxaline IUPAC Name: 2,3-bis[3-[2-(4-phenylsulfanylphenyl)ethynyl]phenyl]quinoxaline Traditional Name: 2,3-bis[3-[2-[4-(phenylthio)phenyl]ethynyl]phenyl]quinoxaline Formula: C48H30N2S2 MolecularWeight: 698.8952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=C(C=C2)C#CC3=CC(=CC=C3)C4=NC5=CC=CC=C5N=C4C6=CC=CC(=C6)C#CC7=CC=C(C=C7)SC8=CC=CC=C8

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=C(C=C2)C#CC3=CC(=CC=C3)C4=NC5=CC=CC=C5N=C4C6=CC=CC(=C6)C#CC7=CC=C(C=C7)SC8=CC=CC=C8

InChI

InChI=1S/C48H30N2S2/c1-3-15-41(16-4-1)51-43-29-25-35(26-30-43)21-23-37-11-9-13-39(33-37)47-48(50-46-20-8-7-19-45(46)49-47)40-14-10-12-38(34-40)24-22-36-27-31-44(32-28-36)52-42-17-5-2-6-18-42/h1-20,25-34H