4-ethoxy-1-(4-fluorophenyl)-N-[5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide

Systemtic Name: 4-ethoxy-1-(4-fluorophenyl)-N-[5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide Openeye Name: 4-ethoxy-1-(4-fluorophenyl)-N-[5-(2-pyridylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide CAS Name: 4-ethoxy-1-(4-fluorophenyl)-N-[5-(2-pyridinylmethylthio)-1,3,4-thiadiazol-2-yl]-3-pyrazolecarboxamide IUPAC Name: 4-ethoxy-1-(4-fluorophenyl)-N-[5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide Traditional Name: 4-ethoxy-1-(4-fluorophenyl)-N-[5-(2-pyridylmethylthio)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide Formula: C20H17FN6O2S2 MolecularWeight: 456.516383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CN(N=C1C(=O)NC2=NN=C(S2)SCC3=CC=CC=N3)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC1=CN(N=C1C(=O)NC2=NN=C(S2)SCC3=CC=CC=N3)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H17FN6O2S2/c1-2-29-16-11-27(15-8-6-13(21)7-9-15)26-17(16)18(28)23-19-24-25-20(31-19)30-12-14-5-3-4-10-22-14/h3-11H,2,12H2,1H3,(H,23,24,28)