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

Systemtic Name: 5-(4-octylphenyl)-2-(4-pentylphenyl)-3H-1,2,3-thiadiazole Openeye Name: 5-(4-octylphenyl)-2-(4-pentylphenyl)-3H-thiadiazole CAS Name: 5-(4-octylphenyl)-2-(4-pentylphenyl)-3H-thiadiazole IUPAC Name: 5-(4-octylphenyl)-2-(4-pentylphenyl)-3H-thiadiazole Traditional Name: 2-(4-amylphenyl)-5-(4-octylphenyl)-3H-thiadiazole Formula: C27H38N2S MolecularWeight: 422.66902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CNN(S2)C3=CC=C(C=C3)CCCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CNN(S2)C3=CC=C(C=C3)CCCCC

InChI

InChI=1S/C27H38N2S/c1-3-5-7-8-9-11-13-23-14-18-25(19-15-23)27-22-28-29(30-27)26-20-16-24(17-21-26)12-10-6-4-2/h14-22,28H,3-13H2,1-2H3