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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)OCCCC3CCC(CC3)CCCCC

Isomeric SMILES

CCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)OCCCC3CCC(CC3)CCCCC

InChI

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