2-(4-octoxyphenyl)-5-(4-pentylphenyl)-1,3,4-thiadiazole

Systemtic Name: 2-(4-octoxyphenyl)-5-(4-pentylphenyl)-1,3,4-thiadiazole Openeye Name: 2-(4-octoxyphenyl)-5-(4-pentylphenyl)-1,3,4-thiadiazole CAS Name: 2-(4-octoxyphenyl)-5-(4-pentylphenyl)-1,3,4-thiadiazole IUPAC Name: 2-(4-octoxyphenyl)-5-(4-pentylphenyl)-1,3,4-thiadiazole Traditional Name: 2-(4-amylphenyl)-5-(4-octoxyphenyl)-1,3,4-thiadiazole Formula: C27H36N2OS MolecularWeight: 436.65254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)CCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)CCCCC

InChI

InChI=1S/C27H36N2OS/c1-3-5-7-8-9-11-21-30-25-19-17-24(18-20-25)27-29-28-26(31-27)23-15-13-22(14-16-23)12-10-6-4-2/h13-20H,3-12,21H2,1-2H3