3-[5-[2-(4-bromanylphenoxy)ethylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[5-[2-(4-bromanylphenoxy)ethylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[2-(4-bromophenoxy)ethylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[2-(4-bromophenoxy)ethylthio]-4-ethyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[2-(4-bromophenoxy)ethylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[2-(4-bromophenoxy)ethylthio]-4-ethyl-1,2,4-triazol-3-yl]propionamide Formula: C15H19BrN4O2S MolecularWeight: 399.30596

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCOC2=CC=C(C=C2)Br)CCC(=O)N

Isomeric SMILES

CCN1C(=NN=C1SCCOC2=CC=C(C=C2)Br)CCC(=O)N

InChI

InChI=1S/C15H19BrN4O2S/c1-2-20-14(8-7-13(17)21)18-19-15(20)23-10-9-22-12-5-3-11(16)4-6-12/h3-6H,2,7-10H2,1H3,(H2,17,21)