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

Systemtic Name: N-[5-[2-(4-bromophenyl)sulfanylethyl]-1,3,4-thiadiazol-2-yl]-4-fluoranyl-benzamide Openeye Name: N-[5-[2-(4-bromophenyl)sulfanylethyl]-1,3,4-thiadiazol-2-yl]-4-fluoro-benzamide CAS Name: N-[5-[2-[(4-bromophenyl)thio]ethyl]-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide IUPAC Name: N-[5-[2-(4-bromophenyl)sulfanylethyl]-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide Traditional Name: N-[5-[2-[(4-bromophenyl)thio]ethyl]-1,3,4-thiadiazol-2-yl]-4-fluoro-benzamide Formula: C17H13BrFN3OS2 MolecularWeight: 438.337023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=NN=C(S2)CCSC3=CC=C(C=C3)Br)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=NN=C(S2)CCSC3=CC=C(C=C3)Br)F

InChI

InChI=1S/C17H13BrFN3OS2/c18-12-3-7-14(8-4-12)24-10-9-15-21-22-17(25-15)20-16(23)11-1-5-13(19)6-2-11/h1-8H,9-10H2,(H,20,22,23)