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

Systemtic Name: 2-bromanyl-N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-methoxy-benzamide Openeye Name: 2-bromo-N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-methoxy-benzamide CAS Name: 2-bromo-N-[5-[(4-fluorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-5-methoxybenzamide IUPAC Name: 2-bromo-N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-methoxybenzamide Traditional Name: 2-bromo-N-[5-[(4-fluorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-5-methoxy-benzamide Formula: C17H13BrFN3O2S2 MolecularWeight: 454.336423

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)F

InChI

InChI=1S/C17H13BrFN3O2S2/c1-24-12-6-7-14(18)13(8-12)15(23)20-16-21-22-17(26-16)25-9-10-2-4-11(19)5-3-10/h2-8H,9H2,1H3,(H,20,21,23)