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

Systemtic Name: 2-heptyl-5-[4-(4-pentylcyclohexyl)-3-propoxy-phenyl]-1,3,4-thiadiazole Openeye Name: 2-heptyl-5-[4-(4-pentylcyclohexyl)-3-propoxy-phenyl]-1,3,4-thiadiazole CAS Name: 2-heptyl-5-[4-(4-pentylcyclohexyl)-3-propoxyphenyl]-1,3,4-thiadiazole IUPAC Name: 2-heptyl-5-[4-(4-pentylcyclohexyl)-3-propoxyphenyl]-1,3,4-thiadiazole Traditional Name: 2-[4-(4-amylcyclohexyl)-3-propoxy-phenyl]-5-heptyl-1,3,4-thiadiazole Formula: C29H46N2OS MolecularWeight: 470.75334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NN=C(S1)C2=CC(=C(C=C2)C3CCC(CC3)CCCCC)OCCC

Isomeric SMILES

CCCCCCCC1=NN=C(S1)C2=CC(=C(C=C2)C3CCC(CC3)CCCCC)OCCC

InChI

InChI=1S/C29H46N2OS/c1-4-7-9-10-12-14-28-30-31-29(33-28)25-19-20-26(27(22-25)32-21-6-3)24-17-15-23(16-18-24)13-11-8-5-2/h19-20,22-24H,4-18,21H2,1-3H3