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

Systemtic Name: N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-ethoxy-1-ethyl-pyrazole-4-carboxamide Openeye Name: N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-ethoxy-1-ethyl-pyrazole-4-carboxamide CAS Name: N-[5-[(4-bromophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-3-ethoxy-1-ethyl-4-pyrazolecarboxamide IUPAC Name: N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-ethoxy-1-ethylpyrazole-4-carboxamide Traditional Name: N-[5-[(4-bromobenzyl)thio]-1,3,4-thiadiazol-2-yl]-3-ethoxy-1-ethyl-pyrazole-4-carboxamide Formula: C17H18BrN5O2S2 MolecularWeight: 468.39112

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)OCC)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)Br

Isomeric SMILES

CCN1C=C(C(=N1)OCC)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H18BrN5O2S2/c1-3-23-9-13(15(22-23)25-4-2)14(24)19-16-20-21-17(27-16)26-10-11-5-7-12(18)8-6-11/h5-9H,3-4,10H2,1-2H3,(H,19,20,24)