2-[2-(2-cyanophenyl)ethynyl]-5-[2-(4-methylsulfanylphenyl)ethynyl]benzene-1,4-dicarbonitrile

Systemtic Name: 2-[2-(2-cyanophenyl)ethynyl]-5-[2-(4-methylsulfanylphenyl)ethynyl]benzene-1,4-dicarbonitrile Openeye Name: 2-[2-(2-cyanophenyl)ethynyl]-5-[2-(4-methylsulfanylphenyl)ethynyl]terephthalonitrile CAS Name: 2-[2-(2-cyanophenyl)ethynyl]-5-[2-[4-(methylthio)phenyl]ethynyl]benzene-1,4-dicarbonitrile IUPAC Name: 2-[2-(2-cyanophenyl)ethynyl]-5-[2-(4-methylsulfanylphenyl)ethynyl]benzene-1,4-dicarbonitrile Traditional Name: 2-[2-(2-cyanophenyl)ethynyl]-5-[2-[4-(methylthio)phenyl]ethynyl]terephthalonitrile Formula: C26H13N3S MolecularWeight: 399.46652

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C#CC2=CC(=C(C=C2C#N)C#CC3=CC=CC=C3C#N)C#N

Isomeric SMILES

CSC1=CC=C(C=C1)C#CC2=CC(=C(C=C2C#N)C#CC3=CC=CC=C3C#N)C#N

InChI

InChI=1S/C26H13N3S/c1-30-26-12-7-19(8-13-26)6-9-21-14-25(18-29)22(15-24(21)17-28)11-10-20-4-2-3-5-23(20)16-27/h2-5,7-8,12-15H,1H3