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

Systemtic Name: 3,4-bis(fluoranyl)-5-(4-methoxyphenyl)sulfanyl-6-phenylazanyl-benzene-1,2-dicarbonitrile Openeye Name: 3-anilino-5,6-difluoro-4-(4-methoxyphenyl)sulfanyl-phthalonitrile CAS Name: 3-anilino-5,6-difluoro-4-[(4-methoxyphenyl)thio]benzene-1,2-dicarbonitrile IUPAC Name: 3-anilino-5,6-difluoro-4-(4-methoxyphenyl)sulfanylbenzene-1,2-dicarbonitrile Traditional Name: 3-anilino-5,6-difluoro-4-[(4-methoxyphenyl)thio]phthalonitrile Formula: C21H13F2N3OS MolecularWeight: 393.409226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SC2=C(C(=C(C(=C2F)F)C#N)C#N)NC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)SC2=C(C(=C(C(=C2F)F)C#N)C#N)NC3=CC=CC=C3

InChI

InChI=1S/C21H13F2N3OS/c1-27-14-7-9-15(10-8-14)28-21-19(23)18(22)16(11-24)17(12-25)20(21)26-13-5-3-2-4-6-13/h2-10,26H,1H3