methyl 4-[5-(4-octoxyphenyl)-1,3,4-thiadiazol-2-yl]benzoate

Systemtic Name: methyl 4-[5-(4-octoxyphenyl)-1,3,4-thiadiazol-2-yl]benzoate Openeye Name: methyl 4-[5-(4-octoxyphenyl)-1,3,4-thiadiazol-2-yl]benzoate CAS Name: 4-[5-(4-octoxyphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-(4-octoxyphenyl)-1,3,4-thiadiazol-2-yl]benzoate Traditional Name: 4-[5-(4-octoxyphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid methyl ester Formula: C24H28N2O3S MolecularWeight: 424.55572

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)C(=O)OC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C24H28N2O3S/c1-3-4-5-6-7-8-17-29-21-15-13-19(14-16-21)23-26-25-22(30-23)18-9-11-20(12-10-18)24(27)28-2/h9-16H,3-8,17H2,1-2H3