3-[5-[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[5-[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[2-(5-bromo-2-thienyl)-2-oxo-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[[2-(5-bromo-2-thiophenyl)-2-oxoethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[2-(5-bromothiophen-2-yl)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[[2-(5-bromo-2-thienyl)-2-keto-ethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]propionamide Formula: C13H15BrN4O2S2 MolecularWeight: 403.3178

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=C(S2)Br)CCC(=O)N

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=C(S2)Br)CCC(=O)N

InChI

InChI=1S/C13H15BrN4O2S2/c1-2-18-12(6-5-11(15)20)16-17-13(18)21-7-8(19)9-3-4-10(14)22-9/h3-4H,2,5-7H2,1H3,(H2,15,20)