5-bromanyl-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-fluoranyl-benzamide

Systemtic Name: 5-bromanyl-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-fluoranyl-benzamide Openeye Name: 5-bromo-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-fluoro-benzamide CAS Name: 5-bromo-N-[5-[(4-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide IUPAC Name: 5-bromo-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide Traditional Name: 5-bromo-N-[5-[(4-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]-2-fluoro-benzamide Formula: C17H10BrFN4OS2 MolecularWeight: 449.319903

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NN=C(S2)NC(=O)C3=C(C=CC(=C3)Br)F)C#N

Isomeric SMILES

C1=CC(=CC=C1CSC2=NN=C(S2)NC(=O)C3=C(C=CC(=C3)Br)F)C#N

InChI

InChI=1S/C17H10BrFN4OS2/c18-12-5-6-14(19)13(7-12)15(24)21-16-22-23-17(26-16)25-9-11-3-1-10(8-20)2-4-11/h1-7H,9H2,(H,21,22,24)