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

Systemtic Name: 4-[5-(4-hexylphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid Openeye Name: 4-[5-(4-hexylphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid CAS Name: 4-[5-(4-hexylphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid IUPAC Name: 4-[5-(4-hexylphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid Traditional Name: 4-[5-(4-hexylphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H22N2O2S/c1-2-3-4-5-6-15-7-9-16(10-8-15)19-22-23-20(26-19)17-11-13-18(14-12-17)21(24)25/h7-14H,2-6H2,1H3,(H,24,25)