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

Systemtic Name: 2-(4-heptylphenyl)-5-(4-octoxyphenyl)-1,3,4-thiadiazole Openeye Name: 2-(4-heptylphenyl)-5-(4-octoxyphenyl)-1,3,4-thiadiazole CAS Name: 2-(4-heptylphenyl)-5-(4-octoxyphenyl)-1,3,4-thiadiazole IUPAC Name: 2-(4-heptylphenyl)-5-(4-octoxyphenyl)-1,3,4-thiadiazole Traditional Name: 2-(4-heptylphenyl)-5-(4-octoxyphenyl)-1,3,4-thiadiazole Formula: C29H40N2OS MolecularWeight: 464.7057

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H40N2OS/c1-3-5-7-9-11-13-23-32-27-21-19-26(20-22-27)29-31-30-28(33-29)25-17-15-24(16-18-25)14-12-10-8-6-4-2/h15-22H,3-14,23H2,1-2H3