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

Systemtic Name: 4-ethoxy-1-(4-fluorophenyl)-N-[5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide Openeye Name: N-[5-(2-anilino-2-oxo-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide CAS Name: N-[5-[(2-anilino-2-oxoethyl)thio]-1,3,4-thiadiazol-2-yl]-4-ethoxy-1-(4-fluorophenyl)-3-pyrazolecarboxamide IUPAC Name: N-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide Traditional Name: N-[5-[(2-anilino-2-keto-ethyl)thio]-1,3,4-thiadiazol-2-yl]-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide Formula: C22H19FN6O3S2 MolecularWeight: 498.553063

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CN(N=C1C(=O)NC2=NN=C(S2)SCC(=O)NC3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC1=CN(N=C1C(=O)NC2=NN=C(S2)SCC(=O)NC3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H19FN6O3S2/c1-2-32-17-12-29(16-10-8-14(23)9-11-16)28-19(17)20(31)25-21-26-27-22(34-21)33-13-18(30)24-15-6-4-3-5-7-15/h3-12H,2,13H2,1H3,(H,24,30)(H,25,26,31)