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

Systemtic Name: 2-(4-nonoxyphenyl)-5-[3-(4-pentylcyclohexyl)propoxy]-1,3,4-thiadiazole Openeye Name: 2-(4-nonoxyphenyl)-5-[3-(4-pentylcyclohexyl)propoxy]-1,3,4-thiadiazole CAS Name: 2-(4-nonoxyphenyl)-5-[3-(4-pentylcyclohexyl)propoxy]-1,3,4-thiadiazole IUPAC Name: 2-(4-nonoxyphenyl)-5-[3-(4-pentylcyclohexyl)propoxy]-1,3,4-thiadiazole Traditional Name: 2-[3-(4-amylcyclohexyl)propoxy]-5-(4-nonoxyphenyl)-1,3,4-thiadiazole Formula: C31H50N2O2S MolecularWeight: 514.8059

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)OCCCC3CCC(CC3)CCCCC

Isomeric SMILES

CCCCCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)OCCCC3CCC(CC3)CCCCC

InChI

InChI=1S/C31H50N2O2S/c1-3-5-7-8-9-10-12-24-34-29-22-20-28(21-23-29)30-32-33-31(36-30)35-25-13-15-27-18-16-26(17-19-27)14-11-6-4-2/h20-23,26-27H,3-19,24-25H2,1-2H3