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

Systemtic Name: N-[[5-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]ethanamide Openeye Name: N-[[5-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]acetamide CAS Name: N-[[5-[[2-(4-bromophenyl)-2-oxoethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]acetamide IUPAC Name: N-[[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]acetamide Traditional Name: N-[[5-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]acetamide 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)CNC(=O)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)CNC(=O)C

InChI

InChI=1S/C15H17BrN4O2S/c1-3-20-14(8-17-10(2)21)18-19-15(20)23-9-13(22)11-4-6-12(16)7-5-11/h4-7H,3,8-9H2,1-2H3,(H,17,21)