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

Systemtic Name: 2-(4-heptoxyphenyl)-5-[3-(4-pentylcyclohexyl)propoxy]-1,3,4-thiadiazole Openeye Name: 2-(4-heptoxyphenyl)-5-[3-(4-pentylcyclohexyl)propoxy]-1,3,4-thiadiazole CAS Name: 2-(4-heptoxyphenyl)-5-[3-(4-pentylcyclohexyl)propoxy]-1,3,4-thiadiazole IUPAC Name: 2-(4-heptoxyphenyl)-5-[3-(4-pentylcyclohexyl)propoxy]-1,3,4-thiadiazole Traditional Name: 2-[3-(4-amylcyclohexyl)propoxy]-5-(4-heptoxyphenyl)-1,3,4-thiadiazole Formula: C29H46N2O2S MolecularWeight: 486.75274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)OCCCC3CCC(CC3)CCCCC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)OCCCC3CCC(CC3)CCCCC

InChI

InChI=1S/C29H46N2O2S/c1-3-5-7-8-10-22-32-27-20-18-26(19-21-27)28-30-31-29(34-28)33-23-11-13-25-16-14-24(15-17-25)12-9-6-4-2/h18-21,24-25H,3-17,22-23H2,1-2H3