2-(2-fluoranyl-4-octoxy-phenyl)-5-(4-nonoxyphenyl)-1,3,4-thiadiazole

Systemtic Name: 2-(2-fluoranyl-4-octoxy-phenyl)-5-(4-nonoxyphenyl)-1,3,4-thiadiazole Openeye Name: 2-(2-fluoro-4-octoxy-phenyl)-5-(4-nonoxyphenyl)-1,3,4-thiadiazole CAS Name: 2-(2-fluoro-4-octoxyphenyl)-5-(4-nonoxyphenyl)-1,3,4-thiadiazole IUPAC Name: 2-(2-fluoro-4-octoxyphenyl)-5-(4-nonoxyphenyl)-1,3,4-thiadiazole Traditional Name: 2-(2-fluoro-4-octoxy-phenyl)-5-(4-nonoxyphenyl)-1,3,4-thiadiazole Formula: C31H43FN2O2S MolecularWeight: 526.748723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)C3=C(C=C(C=C3)OCCCCCCCC)F

Isomeric SMILES

CCCCCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)C3=C(C=C(C=C3)OCCCCCCCC)F

InChI

InChI=1S/C31H43FN2O2S/c1-3-5-7-9-11-13-14-22-35-26-18-16-25(17-19-26)30-33-34-31(37-30)28-21-20-27(24-29(28)32)36-23-15-12-10-8-6-4-2/h16-21,24H,3-15,22-23H2,1-2H3