2-(5-butylpyridin-2-yl)-5-(4-dodecoxyphenyl)-1,3,4-thiadiazole

Systemtic Name: 2-(5-butylpyridin-2-yl)-5-(4-dodecoxyphenyl)-1,3,4-thiadiazole Openeye Name: 2-(5-butyl-2-pyridyl)-5-(4-dodecoxyphenyl)-1,3,4-thiadiazole CAS Name: 2-(5-butyl-2-pyridinyl)-5-(4-dodecoxyphenyl)-1,3,4-thiadiazole IUPAC Name: 2-(5-butylpyridin-2-yl)-5-(4-dodecoxyphenyl)-1,3,4-thiadiazole Traditional Name: 2-(5-butyl-2-pyridyl)-5-(4-lauryloxyphenyl)-1,3,4-thiadiazole Formula: C29H41N3OS MolecularWeight: 479.72034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)C3=NC=C(C=C3)CCCC

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)C3=NC=C(C=C3)CCCC

InChI

InChI=1S/C29H41N3OS/c1-3-5-7-8-9-10-11-12-13-14-22-33-26-19-17-25(18-20-26)28-31-32-29(34-28)27-21-16-24(23-30-27)15-6-4-2/h16-21,23H,3-15,22H2,1-2H3