2-[4-(2-methylundeca-2,3-dienoxy)phenyl]-5-(4-octoxyphenyl)-1,3,4-thiadiazole

Systemtic Name: 2-[4-(2-methylundeca-2,3-dienoxy)phenyl]-5-(4-octoxyphenyl)-1,3,4-thiadiazole Openeye Name: 2-[4-(2-methylundeca-2,3-dienoxy)phenyl]-5-(4-octoxyphenyl)-1,3,4-thiadiazole CAS Name: 2-[4-(2-methylundeca-2,3-dienoxy)phenyl]-5-(4-octoxyphenyl)-1,3,4-thiadiazole IUPAC Name: 2-[4-(2-methylundeca-2,3-dienoxy)phenyl]-5-(4-octoxyphenyl)-1,3,4-thiadiazole Traditional Name: 2-[4-(2-methylundeca-2,3-dienoxy)phenyl]-5-(4-octoxyphenyl)-1,3,4-thiadiazole Formula: C34H46N2O2S MolecularWeight: 546.80624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)OCC(=C=CCCCCCCC)C

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)OCC(=C=CCCCCCCC)C

InChI

InChI=1S/C34H46N2O2S/c1-4-6-8-10-12-13-15-17-28(3)27-38-32-24-20-30(21-25-32)34-36-35-33(39-34)29-18-22-31(23-19-29)37-26-16-14-11-9-7-5-2/h15,18-25H,4-14,16,26-27H2,1-3H3