3-[[5-fluoranyl-2-methoxy-3,4-bis(phenylsulfanyl)phenyl]amino]benzene-1,2-dicarbonitrile

Systemtic Name: 3-[[5-fluoranyl-2-methoxy-3,4-bis(phenylsulfanyl)phenyl]amino]benzene-1,2-dicarbonitrile Openeye Name: 3-[5-fluoro-2-methoxy-3,4-bis(phenylsulfanyl)anilino]phthalonitrile CAS Name: 3-[5-fluoro-2-methoxy-3,4-bis(phenylthio)anilino]benzene-1,2-dicarbonitrile IUPAC Name: 3-[5-fluoro-2-methoxy-3,4-bis(phenylsulfanyl)anilino]benzene-1,2-dicarbonitrile Traditional Name: 3-[5-fluoro-2-methoxy-3,4-bis(phenylthio)anilino]phthalonitrile Formula: C27H18FN3OS2 MolecularWeight: 483.579723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1NC2=CC=CC(=C2C#N)C#N)F)SC3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

COC1=C(C(=C(C=C1NC2=CC=CC(=C2C#N)C#N)F)SC3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C27H18FN3OS2/c1-32-25-24(31-23-14-8-9-18(16-29)21(23)17-30)15-22(28)26(33-19-10-4-2-5-11-19)27(25)34-20-12-6-3-7-13-20/h2-15,31H,1H3