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

Systemtic Name: 4-[5-[4-(5-methoxypentoxy)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid Openeye Name: 4-[5-[4-(5-methoxypentoxy)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid CAS Name: 4-[5-[4-(5-methoxypentoxy)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid IUPAC Name: 4-[5-[4-(5-methoxypentoxy)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid Traditional Name: 4-[5-[4-(5-methoxypentoxy)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

COCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H22N2O4S/c1-26-13-3-2-4-14-27-18-11-9-16(10-12-18)20-23-22-19(28-20)15-5-7-17(8-6-15)21(24)25/h5-12H,2-4,13-14H2,1H3,(H,24,25)