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

Systemtic Name: 4-[5-(4-hexoxyphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid Openeye Name: 4-[5-(4-hexoxyphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid CAS Name: 4-[5-(4-hexoxyphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid IUPAC Name: 4-[5-(4-hexoxyphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid Traditional Name: 4-[5-(4-hexoxyphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H22N2O3S/c1-2-3-4-5-14-26-18-12-10-16(11-13-18)20-23-22-19(27-20)15-6-8-17(9-7-15)21(24)25/h6-13H,2-5,14H2,1H3,(H,24,25)