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

Systemtic Name: 3-[5-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[[2-(4-bromophenyl)-2-oxoethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]propionamide Formula: C15H17BrN4O2S MolecularWeight: 397.29008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17BrN4O2S/c1-2-20-14(8-7-13(17)22)18-19-15(20)23-9-12(21)10-3-5-11(16)6-4-10/h3-6H,2,7-9H2,1H3,(H2,17,22)