2-hexyl-5-[4-(4-pentylcyclohexyl)-3-propoxy-phenyl]-1,3,4-thiadiazole

Systemtic Name: 2-hexyl-5-[4-(4-pentylcyclohexyl)-3-propoxy-phenyl]-1,3,4-thiadiazole Openeye Name: 2-hexyl-5-[4-(4-pentylcyclohexyl)-3-propoxy-phenyl]-1,3,4-thiadiazole CAS Name: 2-hexyl-5-[4-(4-pentylcyclohexyl)-3-propoxyphenyl]-1,3,4-thiadiazole IUPAC Name: 2-hexyl-5-[4-(4-pentylcyclohexyl)-3-propoxyphenyl]-1,3,4-thiadiazole Traditional Name: 2-[4-(4-amylcyclohexyl)-3-propoxy-phenyl]-5-hexyl-1,3,4-thiadiazole Formula: C28H44N2OS MolecularWeight: 456.72676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NN=C(S1)C2=CC(=C(C=C2)C3CCC(CC3)CCCCC)OCCC

Isomeric SMILES

CCCCCCC1=NN=C(S1)C2=CC(=C(C=C2)C3CCC(CC3)CCCCC)OCCC

InChI

InChI=1S/C28H44N2OS/c1-4-7-9-11-13-27-29-30-28(32-27)24-18-19-25(26(21-24)31-20-6-3)23-16-14-22(15-17-23)12-10-8-5-2/h18-19,21-23H,4-17,20H2,1-3H3