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

Systemtic Name: 5-(4-octoxyphenyl)-3-(4-pentylphenyl)-2H-1,3,4-thiadiazole Openeye Name: 5-(4-octoxyphenyl)-3-(4-pentylphenyl)-2H-1,3,4-thiadiazole CAS Name: 5-(4-octoxyphenyl)-3-(4-pentylphenyl)-2H-1,3,4-thiadiazole IUPAC Name: 5-(4-octoxyphenyl)-3-(4-pentylphenyl)-2H-1,3,4-thiadiazole Traditional Name: 3-(4-amylphenyl)-5-(4-octoxyphenyl)-2H-1,3,4-thiadiazole Formula: C27H38N2OS MolecularWeight: 438.66842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NN(CS2)C3=CC=C(C=C3)CCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NN(CS2)C3=CC=C(C=C3)CCCCC

InChI

InChI=1S/C27H38N2OS/c1-3-5-7-8-9-11-21-30-26-19-15-24(16-20-26)27-28-29(22-31-27)25-17-13-23(14-18-25)12-10-6-4-2/h13-20H,3-12,21-22H2,1-2H3