4-butoxy-N-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 4-butoxy-N-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-butoxy-N-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-butoxy-N-[5-[(3-fluorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-butoxy-N-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-butoxy-N-[5-[(3-fluorobenzyl)thio]-1,3,4-thiadiazol-2-yl]benzamide Formula: C20H20FN3O2S2 MolecularWeight: 417.520103

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC(=CC=C3)F

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC(=CC=C3)F

InChI

InChI=1S/C20H20FN3O2S2/c1-2-3-11-26-17-9-7-15(8-10-17)18(25)22-19-23-24-20(28-19)27-13-14-5-4-6-16(21)12-14/h4-10,12H,2-3,11,13H2,1H3,(H,22,23,25)