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

Systemtic Name: 3-bromanyl-4-ethoxy-N-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-methoxy-benzamide Openeye Name: 3-bromo-4-ethoxy-N-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-methoxy-benzamide CAS Name: 3-bromo-4-ethoxy-N-[5-[(2-fluorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-5-methoxybenzamide IUPAC Name: 3-bromo-4-ethoxy-N-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-methoxybenzamide Traditional Name: 3-bromo-4-ethoxy-N-[5-[(2-fluorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-5-methoxy-benzamide Formula: C19H17BrFN3O3S2 MolecularWeight: 498.388983

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3F)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3F)OC

InChI

InChI=1S/C19H17BrFN3O3S2/c1-3-27-16-13(20)8-12(9-15(16)26-2)17(25)22-18-23-24-19(29-18)28-10-11-6-4-5-7-14(11)21/h4-9H,3,10H2,1-2H3,(H,22,23,25)