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

Systemtic Name: 2-heptyl-5-[4-(4-pentylcyclohexyl)phenyl]-1,3,4-thiadiazole Openeye Name: 2-heptyl-5-[4-(4-pentylcyclohexyl)phenyl]-1,3,4-thiadiazole CAS Name: 2-heptyl-5-[4-(4-pentylcyclohexyl)phenyl]-1,3,4-thiadiazole IUPAC Name: 2-heptyl-5-[4-(4-pentylcyclohexyl)phenyl]-1,3,4-thiadiazole Traditional Name: 2-[4-(4-amylcyclohexyl)phenyl]-5-heptyl-1,3,4-thiadiazole Formula: C26H40N2S MolecularWeight: 412.6742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H40N2S/c1-3-5-7-8-10-12-25-27-28-26(29-25)24-19-17-23(18-20-24)22-15-13-21(14-16-22)11-9-6-4-2/h17-22H,3-16H2,1-2H3