2-(4-decoxyphenyl)-5-heptyl-1,3,4-thiadiazole

Systemtic Name: 2-(4-decoxyphenyl)-5-heptyl-1,3,4-thiadiazole Openeye Name: 2-(4-decoxyphenyl)-5-heptyl-1,3,4-thiadiazole CAS Name: 2-(4-decoxyphenyl)-5-heptyl-1,3,4-thiadiazole IUPAC Name: 2-(4-decoxyphenyl)-5-heptyl-1,3,4-thiadiazole Traditional Name: 2-(4-decoxyphenyl)-5-heptyl-1,3,4-thiadiazole Formula: C25H40N2OS MolecularWeight: 416.6629

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)CCCCCCC

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)CCCCCCC

InChI

InChI=1S/C25H40N2OS/c1-3-5-7-9-10-11-13-15-21-28-23-19-17-22(18-20-23)25-27-26-24(29-25)16-14-12-8-6-4-2/h17-20H,3-16,21H2,1-2H3