5,6-bis[2-(3,5-ditert-butylphenyl)ethynyl]pyrazine-2,3-dicarbonitrile

Systemtic Name: 5,6-bis[2-(3,5-ditert-butylphenyl)ethynyl]pyrazine-2,3-dicarbonitrile Openeye Name: 5,6-bis[2-(3,5-ditert-butylphenyl)ethynyl]pyrazine-2,3-dicarbonitrile CAS Name: 5,6-bis[2-(3,5-ditert-butylphenyl)ethynyl]pyrazine-2,3-dicarbonitrile IUPAC Name: 5,6-bis[2-(3,5-ditert-butylphenyl)ethynyl]pyrazine-2,3-dicarbonitrile Traditional Name: 5,6-bis[2-(3,5-ditert-butylphenyl)ethynyl]pyrazine-2,3-dicarbonitrile Formula: C38H42N4 MolecularWeight: 554.76688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C#CC2=C(N=C(C(=N2)C#N)C#N)C#CC3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C#CC2=C(N=C(C(=N2)C#N)C#N)C#CC3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C38H42N4/c1-35(2,3)27-17-25(18-28(21-27)36(4,5)6)13-15-31-32(42-34(24-40)33(23-39)41-31)16-14-26-19-29(37(7,8)9)22-30(20-26)38(10,11)12/h17-22H,1-12H3