4-[5-[4-(6-methoxyhexyl)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid

Systemtic Name: 4-[5-[4-(6-methoxyhexyl)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid Openeye Name: 4-[5-[4-(6-methoxyhexyl)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid CAS Name: 4-[5-[4-(6-methoxyhexyl)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid IUPAC Name: 4-[5-[4-(6-methoxyhexyl)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid Traditional Name: 4-[5-[4-(6-methoxyhexyl)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

COCCCCCCC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COCCCCCCC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)C(=O)O

InChI

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