4-ethoxy-1-(4-fluorophenyl)-N-[5-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide

Systemtic Name: 4-ethoxy-1-(4-fluorophenyl)-N-[5-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide Openeye Name: 4-ethoxy-1-(4-fluorophenyl)-N-[5-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide CAS Name: 4-ethoxy-1-(4-fluorophenyl)-N-[5-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-1,3,4-thiadiazol-2-yl]-3-pyrazolecarboxamide IUPAC Name: 4-ethoxy-1-(4-fluorophenyl)-N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide Traditional Name: 4-ethoxy-1-(4-fluorophenyl)-N-[5-[(2-keto-2-piperidino-ethyl)thio]-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide Formula: C21H23FN6O3S2 MolecularWeight: 490.574123

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CN(N=C1C(=O)NC2=NN=C(S2)SCC(=O)N3CCCCC3)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC1=CN(N=C1C(=O)NC2=NN=C(S2)SCC(=O)N3CCCCC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H23FN6O3S2/c1-2-31-16-12-28(15-8-6-14(22)7-9-15)26-18(16)19(30)23-20-24-25-21(33-20)32-13-17(29)27-10-4-3-5-11-27/h6-9,12H,2-5,10-11,13H2,1H3,(H,23,24,30)