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

Systemtic Name: 3-fluoranyl-4,5-bis[(4-methoxyphenyl)sulfanyl]-6-phenylazanyl-benzene-1,2-dicarbonitrile Openeye Name: 3-anilino-6-fluoro-4,5-bis[(4-methoxyphenyl)sulfanyl]phthalonitrile CAS Name: 3-anilino-6-fluoro-4,5-bis[(4-methoxyphenyl)thio]benzene-1,2-dicarbonitrile IUPAC Name: 3-anilino-6-fluoro-4,5-bis[(4-methoxyphenyl)sulfanyl]benzene-1,2-dicarbonitrile Traditional Name: 3-anilino-6-fluoro-4,5-bis[(4-methoxyphenyl)thio]phthalonitrile Formula: C28H20FN3O2S2 MolecularWeight: 513.605703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SC2=C(C(=C(C(=C2SC3=CC=C(C=C3)OC)F)C#N)C#N)NC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)SC2=C(C(=C(C(=C2SC3=CC=C(C=C3)OC)F)C#N)C#N)NC4=CC=CC=C4

InChI

InChI=1S/C28H20FN3O2S2/c1-33-19-8-12-21(13-9-19)35-27-25(29)23(16-30)24(17-31)26(32-18-6-4-3-5-7-18)28(27)36-22-14-10-20(34-2)11-15-22/h3-15,32H,1-2H3