3-(4-butoxyphenyl)-5,6,8-tris(fluoranyl)-7-hexoxy-2H-1,2,4-benzothiadiazine

Systemtic Name: 3-(4-butoxyphenyl)-5,6,8-tris(fluoranyl)-7-hexoxy-2H-1,2,4-benzothiadiazine Openeye Name: 3-(4-butoxyphenyl)-5,6,8-trifluoro-7-hexoxy-2H-1,2,4-benzothiadiazine CAS Name: 3-(4-butoxyphenyl)-5,6,8-trifluoro-7-hexoxy-2H-1,2,4-benzothiadiazine IUPAC Name: 3-(4-butoxyphenyl)-5,6,8-trifluoro-7-hexoxy-2H-1,2,4-benzothiadiazine Traditional Name: 3-(4-butoxyphenyl)-5,6,8-trifluoro-7-hexoxy-2H-1,2,4-benzothiadiazine Formula: C23H27F3N2O2S MolecularWeight: 452.53289

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C(=C2C(=C1F)SNC(=N2)C3=CC=C(C=C3)OCCCC)F)F

Isomeric SMILES

CCCCCCOC1=C(C(=C2C(=C1F)SNC(=N2)C3=CC=C(C=C3)OCCCC)F)F

InChI

InChI=1S/C23H27F3N2O2S/c1-3-5-7-8-14-30-21-18(25)17(24)20-22(19(21)26)31-28-23(27-20)15-9-11-16(12-10-15)29-13-6-4-2/h9-12H,3-8,13-14H2,1-2H3,(H,27,28)