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

Systemtic Name: 2-[5-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]-N-(4-ethoxyphenyl)ethanamide Openeye Name: 2-[5-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]-N-(4-ethoxyphenyl)acetamide CAS Name: 2-[5-[[2-(4-bromophenyl)-2-oxoethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]-N-(4-ethoxyphenyl)acetamide IUPAC Name: 2-[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]-N-(4-ethoxyphenyl)acetamide Traditional Name: 2-[5-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]-N-p-phenetyl-acetamide Formula: C22H23BrN4O3S MolecularWeight: 503.41202

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)CC(=O)NC3=CC=C(C=C3)OCC

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)CC(=O)NC3=CC=C(C=C3)OCC

InChI

InChI=1S/C22H23BrN4O3S/c1-3-27-20(13-21(29)24-17-9-11-18(12-10-17)30-4-2)25-26-22(27)31-14-19(28)15-5-7-16(23)8-6-15/h5-12H,3-4,13-14H2,1-2H3,(H,24,29)