4-[5-(4-heptoxyphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid

Systemtic Name: 4-[5-(4-heptoxyphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid Openeye Name: 4-[5-(4-heptoxyphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid CAS Name: 4-[5-(4-heptoxyphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid IUPAC Name: 4-[5-(4-heptoxyphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid Traditional Name: 4-[5-(4-heptoxyphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid Formula: C22H24N2O3S MolecularWeight: 396.50256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H24N2O3S/c1-2-3-4-5-6-15-27-19-13-11-17(12-14-19)21-24-23-20(28-21)16-7-9-18(10-8-16)22(25)26/h7-14H,2-6,15H2,1H3,(H,25,26)