N-butyl-N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-fluoranyl-benzamide

Systemtic Name: N-butyl-N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-fluoranyl-benzamide Openeye Name: N-butyl-N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-fluoro-benzamide CAS Name: N-butyl-N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-fluorobenzamide IUPAC Name: N-butyl-N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-fluorobenzamide Traditional Name: N-butyl-3-fluoro-N-(5-p-phenetyl-1,3,4-thiadiazol-2-yl)benzamide Formula: C21H22FN3O2S MolecularWeight: 399.481683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=NN=C(S1)C2=CC=C(C=C2)OCC)C(=O)C3=CC(=CC=C3)F

Isomeric SMILES

CCCCN(C1=NN=C(S1)C2=CC=C(C=C2)OCC)C(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C21H22FN3O2S/c1-3-5-13-25(20(26)16-7-6-8-17(22)14-16)21-24-23-19(28-21)15-9-11-18(12-10-15)27-4-2/h6-12,14H,3-5,13H2,1-2H3