4-ethoxy-1-(4-fluorophenyl)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)pyrazole-3-carboxamide

Systemtic Name: 4-ethoxy-1-(4-fluorophenyl)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)pyrazole-3-carboxamide Openeye Name: 4-ethoxy-1-(4-fluorophenyl)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)pyrazole-3-carboxamide CAS Name: 4-ethoxy-1-(4-fluorophenyl)-N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]-3-pyrazolecarboxamide IUPAC Name: 4-ethoxy-1-(4-fluorophenyl)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)pyrazole-3-carboxamide Traditional Name: 4-ethoxy-1-(4-fluorophenyl)-N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide Formula: C22H18FN5O3S2 MolecularWeight: 483.538423

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CN(N=C1C(=O)NC2=NN=C(S2)SCC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC1=CN(N=C1C(=O)NC2=NN=C(S2)SCC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H18FN5O3S2/c1-2-31-18-12-28(16-10-8-15(23)9-11-16)27-19(18)20(30)24-21-25-26-22(33-21)32-13-17(29)14-6-4-3-5-7-14/h3-12H,2,13H2,1H3,(H,24,25,30)