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

Systemtic Name: 4-butoxy-N-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-butoxy-N-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-butoxy-N-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-butoxy-N-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-butoxy-N-[5-(2-fluorobenzyl)sulfonyl-1,3,4-thiadiazol-2-yl]benzamide Formula: C20H20FN3O4S2 MolecularWeight: 449.518903

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)S(=O)(=O)CC3=CC=CC=C3F

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)S(=O)(=O)CC3=CC=CC=C3F

InChI

InChI=1S/C20H20FN3O4S2/c1-2-3-12-28-16-10-8-14(9-11-16)18(25)22-19-23-24-20(29-19)30(26,27)13-15-6-4-5-7-17(15)21/h4-11H,2-3,12-13H2,1H3,(H,22,23,25)