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

Systemtic Name: 3-(butylamino)-6-fluoranyl-4,5-bis[(4-methoxyphenyl)sulfanyl]benzene-1,2-dicarbonitrile Openeye Name: 3-(butylamino)-6-fluoro-4,5-bis[(4-methoxyphenyl)sulfanyl]phthalonitrile CAS Name: 3-(butylamino)-6-fluoro-4,5-bis[(4-methoxyphenyl)thio]benzene-1,2-dicarbonitrile IUPAC Name: 3-(butylamino)-6-fluoro-4,5-bis[(4-methoxyphenyl)sulfanyl]benzene-1,2-dicarbonitrile Traditional Name: 3-(butylamino)-6-fluoro-4,5-bis[(4-methoxyphenyl)thio]phthalonitrile Formula: C26H24FN3O2S2 MolecularWeight: 493.616063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=C(C(=C1C#N)C#N)F)SC2=CC=C(C=C2)OC)SC3=CC=C(C=C3)OC

Isomeric SMILES

CCCCNC1=C(C(=C(C(=C1C#N)C#N)F)SC2=CC=C(C=C2)OC)SC3=CC=C(C=C3)OC

InChI

InChI=1S/C26H24FN3O2S2/c1-4-5-14-30-24-22(16-29)21(15-28)23(27)25(33-19-10-6-17(31-2)7-11-19)26(24)34-20-12-8-18(32-3)9-13-20/h6-13,30H,4-5,14H2,1-3H3