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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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