2-[2-(4-heptylphenyl)-5-octoxy-phenyl]-1,3,4-thiadiazole

Systemtic Name: 2-[2-(4-heptylphenyl)-5-octoxy-phenyl]-1,3,4-thiadiazole Openeye Name: 2-[2-(4-heptylphenyl)-5-octoxy-phenyl]-1,3,4-thiadiazole CAS Name: 2-[2-(4-heptylphenyl)-5-octoxyphenyl]-1,3,4-thiadiazole IUPAC Name: 2-[2-(4-heptylphenyl)-5-octoxyphenyl]-1,3,4-thiadiazole Traditional Name: 2-[2-(4-heptylphenyl)-5-octoxy-phenyl]-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=CC=C(C=C2)CCCCCCC)C3=NN=CS3

Isomeric SMILES

CCCCCCCCOC1=CC(=C(C=C1)C2=CC=C(C=C2)CCCCCCC)C3=NN=CS3

InChI

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