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

Systemtic Name: 3-(2,6-dimethylphenoxy)-6-fluoranyl-4,5-bis[(4-methoxyphenyl)sulfanyl]benzene-1,2-dicarbonitrile Openeye Name: 3-(2,6-dimethylphenoxy)-6-fluoro-4,5-bis[(4-methoxyphenyl)sulfanyl]phthalonitrile CAS Name: 3-(2,6-dimethylphenoxy)-6-fluoro-4,5-bis[(4-methoxyphenyl)thio]benzene-1,2-dicarbonitrile IUPAC Name: 3-(2,6-dimethylphenoxy)-6-fluoro-4,5-bis[(4-methoxyphenyl)sulfanyl]benzene-1,2-dicarbonitrile Traditional Name: 3-(2,6-dimethylphenoxy)-6-fluoro-4,5-bis[(4-methoxyphenyl)thio]phthalonitrile Formula: C30H23FN2O3S2 MolecularWeight: 542.643623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC2=C(C(=C(C(=C2C#N)C#N)F)SC3=CC=C(C=C3)OC)SC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC2=C(C(=C(C(=C2C#N)C#N)F)SC3=CC=C(C=C3)OC)SC4=CC=C(C=C4)OC

InChI

InChI=1S/C30H23FN2O3S2/c1-18-6-5-7-19(2)27(18)36-28-25(17-33)24(16-32)26(31)29(37-22-12-8-20(34-3)9-13-22)30(28)38-23-14-10-21(35-4)11-15-23/h5-15H,1-4H3