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

Systemtic Name: 3,6-bis(fluoranyl)-4,5-bis[(3-methylphenyl)sulfanyl]benzene-1,2-dicarbonitrile Openeye Name: 3,6-difluoro-4,5-bis(m-tolylsulfanyl)phthalonitrile CAS Name: 3,6-difluoro-4,5-bis[(3-methylphenyl)thio]benzene-1,2-dicarbonitrile IUPAC Name: 3,6-difluoro-4,5-bis[(3-methylphenyl)sulfanyl]benzene-1,2-dicarbonitrile Traditional Name: 3,6-difluoro-4,5-bis(m-tolylthio)phthalonitrile Formula: C22H14F2N2S2 MolecularWeight: 408.486766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)SC2=C(C(=C(C(=C2SC3=CC=CC(=C3)C)F)C#N)C#N)F

Isomeric SMILES

CC1=CC(=CC=C1)SC2=C(C(=C(C(=C2SC3=CC=CC(=C3)C)F)C#N)C#N)F

InChI

InChI=1S/C22H14F2N2S2/c1-13-5-3-7-15(9-13)27-21-19(23)17(11-25)18(12-26)20(24)22(21)28-16-8-4-6-14(2)10-16/h3-10H,1-2H3