2-(2-fluoranyl-4-octoxy-phenyl)-5-[4-(2-methylbutyl)phenyl]-1,3,4-thiadiazole

Systemtic Name: 2-(2-fluoranyl-4-octoxy-phenyl)-5-[4-(2-methylbutyl)phenyl]-1,3,4-thiadiazole Openeye Name: 2-(2-fluoro-4-octoxy-phenyl)-5-[4-(2-methylbutyl)phenyl]-1,3,4-thiadiazole CAS Name: 2-(2-fluoro-4-octoxyphenyl)-5-[4-(2-methylbutyl)phenyl]-1,3,4-thiadiazole IUPAC Name: 2-(2-fluoro-4-octoxyphenyl)-5-[4-(2-methylbutyl)phenyl]-1,3,4-thiadiazole Traditional Name: 2-(2-fluoro-4-octoxy-phenyl)-5-[4-(2-methylbutyl)phenyl]-1,3,4-thiadiazole Formula: C27H35FN2OS MolecularWeight: 454.643003

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)CC(C)CC)F

Isomeric SMILES

CCCCCCCCOC1=CC(=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)CC(C)CC)F

InChI

InChI=1S/C27H35FN2OS/c1-4-6-7-8-9-10-17-31-23-15-16-24(25(28)19-23)27-30-29-26(32-27)22-13-11-21(12-14-22)18-20(3)5-2/h11-16,19-20H,4-10,17-18H2,1-3H3