2-(4-hexoxyphenyl)-5-(4-octylphenyl)-1,3,4-thiadiazole

Systemtic Name: 2-(4-hexoxyphenyl)-5-(4-octylphenyl)-1,3,4-thiadiazole Openeye Name: 2-(4-hexoxyphenyl)-5-(4-octylphenyl)-1,3,4-thiadiazole CAS Name: 2-(4-hexoxyphenyl)-5-(4-octylphenyl)-1,3,4-thiadiazole IUPAC Name: 2-(4-hexoxyphenyl)-5-(4-octylphenyl)-1,3,4-thiadiazole Traditional Name: 2-(4-hexoxyphenyl)-5-(4-octylphenyl)-1,3,4-thiadiazole Formula: C28H38N2OS MolecularWeight: 450.67912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)OCCCCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)OCCCCCC

InChI

InChI=1S/C28H38N2OS/c1-3-5-7-9-10-11-13-23-14-16-24(17-15-23)27-29-30-28(32-27)25-18-20-26(21-19-25)31-22-12-8-6-4-2/h14-21H,3-13,22H2,1-2H3