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

Systemtic Name: 4-ethoxy-1-(4-fluorophenyl)-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide CAS Name: 4-ethoxy-1-(4-fluorophenyl)-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-3-pyrazolecarboxamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide Formula: C21H18FN5O2S2 MolecularWeight: 455.528323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CN(N=C1C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC1=CN(N=C1C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H18FN5O2S2/c1-2-29-17-12-27(16-10-8-15(22)9-11-16)26-18(17)19(28)23-20-24-25-21(31-20)30-13-14-6-4-3-5-7-14/h3-12H,2,13H2,1H3,(H,23,24,28)