4,5-bis[(2-tert-butylphenyl)sulfanyl]-3,6-bis(fluoranyl)benzene-1,2-dicarbonitrile

Systemtic Name: 4,5-bis[(2-tert-butylphenyl)sulfanyl]-3,6-bis(fluoranyl)benzene-1,2-dicarbonitrile Openeye Name: 4,5-bis[(2-tert-butylphenyl)sulfanyl]-3,6-difluoro-phthalonitrile CAS Name: 4,5-bis[(2-tert-butylphenyl)thio]-3,6-difluorobenzene-1,2-dicarbonitrile IUPAC Name: 4,5-bis[(2-tert-butylphenyl)sulfanyl]-3,6-difluorobenzene-1,2-dicarbonitrile Traditional Name: 4,5-bis[(2-tert-butylphenyl)thio]-3,6-difluoro-phthalonitrile Formula: C28H26F2N2S2 MolecularWeight: 492.646246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1SC2=C(C(=C(C(=C2SC3=CC=CC=C3C(C)(C)C)F)C#N)C#N)F

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1SC2=C(C(=C(C(=C2SC3=CC=CC=C3C(C)(C)C)F)C#N)C#N)F

InChI

InChI=1S/C28H26F2N2S2/c1-27(2,3)19-11-7-9-13-21(19)33-25-23(29)17(15-31)18(16-32)24(30)26(25)34-22-14-10-8-12-20(22)28(4,5)6/h7-14H,1-6H3