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

Systemtic Name: N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-pentoxy-benzamide Openeye Name: N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-pentoxy-benzamide CAS Name: N-[5-[(4-fluorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-pentoxybenzamide IUPAC Name: N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-pentoxybenzamide Traditional Name: 4-amoxy-N-[5-[(4-fluorobenzyl)thio]-1,3,4-thiadiazol-2-yl]benzamide Formula: C21H22FN3O2S2 MolecularWeight: 431.546683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)F

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FN3O2S2/c1-2-3-4-13-27-18-11-7-16(8-12-18)19(26)23-20-24-25-21(29-20)28-14-15-5-9-17(22)10-6-15/h5-12H,2-4,13-14H2,1H3,(H,23,24,26)