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

Systemtic Name: 4-[5-[2-(4-hexoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]benzoic acid Openeye Name: 4-[5-[2-(4-hexoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]benzoic acid CAS Name: 4-[5-[2-(4-hexoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]benzoic acid IUPAC Name: 4-[5-[2-(4-hexoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]benzoic acid Traditional Name: 4-[5-[2-(4-hexoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]benzoic acid Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)CCC2=NN=C(S2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)CCC2=NN=C(S2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H26N2O3S/c1-2-3-4-5-16-28-20-13-6-17(7-14-20)8-15-21-24-25-22(29-21)18-9-11-19(12-10-18)23(26)27/h6-7,9-14H,2-5,8,15-16H2,1H3,(H,26,27)