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

Systemtic Name: 4-[5-(1-decylpyrazol-4-yl)-1,3,4-thiadiazol-2-yl]benzoic acid Openeye Name: 4-[5-(1-decylpyrazol-4-yl)-1,3,4-thiadiazol-2-yl]benzoic acid CAS Name: 4-[5-(1-decyl-4-pyrazolyl)-1,3,4-thiadiazol-2-yl]benzoic acid IUPAC Name: 4-[5-(1-decylpyrazol-4-yl)-1,3,4-thiadiazol-2-yl]benzoic acid Traditional Name: 4-[5-(1-decylpyrazol-4-yl)-1,3,4-thiadiazol-2-yl]benzoic acid Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C=C(C=N1)C2=NN=C(S2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCCCCCCCN1C=C(C=N1)C2=NN=C(S2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H28N4O2S/c1-2-3-4-5-6-7-8-9-14-26-16-19(15-23-26)21-25-24-20(29-21)17-10-12-18(13-11-17)22(27)28/h10-13,15-16H,2-9,14H2,1H3,(H,27,28)