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

Systemtic Name: 2-(5-butylpyridin-2-yl)-5-(4-octoxyphenyl)-1,3,4-thiadiazole Openeye Name: 2-(5-butyl-2-pyridyl)-5-(4-octoxyphenyl)-1,3,4-thiadiazole CAS Name: 2-(5-butyl-2-pyridinyl)-5-(4-octoxyphenyl)-1,3,4-thiadiazole IUPAC Name: 2-(5-butylpyridin-2-yl)-5-(4-octoxyphenyl)-1,3,4-thiadiazole Traditional Name: 2-(5-butyl-2-pyridyl)-5-(4-octoxyphenyl)-1,3,4-thiadiazole Formula: C25H33N3OS MolecularWeight: 423.61402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)C3=NC=C(C=C3)CCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)C3=NC=C(C=C3)CCCC

InChI

InChI=1S/C25H33N3OS/c1-3-5-7-8-9-10-18-29-22-15-13-21(14-16-22)24-27-28-25(30-24)23-17-12-20(19-26-23)11-6-4-2/h12-17,19H,3-11,18H2,1-2H3