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

Systemtic Name: 3-[5-[2-(4-bromanylphenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[2-(4-bromophenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[2-(4-bromophenoxy)ethylthio]-4-methyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[2-(4-bromophenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[2-(4-bromophenoxy)ethylthio]-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C14H17BrN4O2S MolecularWeight: 385.27938

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCOC2=CC=C(C=C2)Br)CCC(=O)N

Isomeric SMILES

CN1C(=NN=C1SCCOC2=CC=C(C=C2)Br)CCC(=O)N

InChI

InChI=1S/C14H17BrN4O2S/c1-19-13(7-6-12(16)20)17-18-14(19)22-9-8-21-11-4-2-10(15)3-5-11/h2-5H,6-9H2,1H3,(H2,16,20)