4-butyl-N-[5-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 4-butyl-N-[5-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-butyl-N-[5-[2-(4-fluorophenyl)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-butyl-N-[5-[[2-(4-fluorophenyl)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-butyl-N-[5-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-butyl-N-[5-[[2-(4-fluorophenyl)-2-keto-ethyl]thio]-1,3,4-thiadiazol-2-yl]benzamide Formula: C21H20FN3O2S2 MolecularWeight: 429.530803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H20FN3O2S2/c1-2-3-4-14-5-7-16(8-6-14)19(27)23-20-24-25-21(29-20)28-13-18(26)15-9-11-17(22)12-10-15/h5-12H,2-4,13H2,1H3,(H,23,24,27)