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

Systemtic Name: N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-ethoxy-benzamide Openeye Name: N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-ethoxy-benzamide CAS Name: N-[5-[(4-bromophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-2-ethoxybenzamide IUPAC Name: N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-ethoxybenzamide Traditional Name: N-[5-[(4-bromobenzyl)thio]-1,3,4-thiadiazol-2-yl]-2-ethoxy-benzamide Formula: C18H16BrN3O2S2 MolecularWeight: 450.37254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)Br

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H16BrN3O2S2/c1-2-24-15-6-4-3-5-14(15)16(23)20-17-21-22-18(26-17)25-11-12-7-9-13(19)10-8-12/h3-10H,2,11H2,1H3,(H,20,21,23)