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

Systemtic Name: N-[[5-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: N-[[5-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: N-[[5-[[2-(4-bromophenyl)-2-oxoethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: N-[[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: N-[[5-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]benzamide Formula: C20H19BrN4O2S MolecularWeight: 459.35946

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)CNC(=O)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)CNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H19BrN4O2S/c1-2-25-18(12-22-19(27)15-6-4-3-5-7-15)23-24-20(25)28-13-17(26)14-8-10-16(21)11-9-14/h3-11H,2,12-13H2,1H3,(H,22,27)