4,5-bis(butylsulfanyl)-3-fluoranyl-6-phenylazanyl-benzene-1,2-dicarbonitrile

Systemtic Name: 4,5-bis(butylsulfanyl)-3-fluoranyl-6-phenylazanyl-benzene-1,2-dicarbonitrile Openeye Name: 3-anilino-4,5-bis(butylsulfanyl)-6-fluoro-phthalonitrile CAS Name: 3-anilino-4,5-bis(butylthio)-6-fluorobenzene-1,2-dicarbonitrile IUPAC Name: 3-anilino-4,5-bis(butylsulfanyl)-6-fluorobenzene-1,2-dicarbonitrile Traditional Name: 3-anilino-4,5-bis(butylthio)-6-fluoro-phthalonitrile Formula: C22H24FN3S2 MolecularWeight: 413.574463

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C(=C(C(=C1SCCCC)F)C#N)C#N)NC2=CC=CC=C2

Isomeric SMILES

CCCCSC1=C(C(=C(C(=C1SCCCC)F)C#N)C#N)NC2=CC=CC=C2

InChI

InChI=1S/C22H24FN3S2/c1-3-5-12-27-21-19(23)17(14-24)18(15-25)20(22(21)28-13-6-4-2)26-16-10-8-7-9-11-16/h7-11,26H,3-6,12-13H2,1-2H3