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

Systemtic Name: 2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyanoindolizin-2-yl)ethanamide Openeye Name: 2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyanoindolizin-2-yl)acetamide CAS Name: 2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(1-cyano-2-indolizinyl)acetamide IUPAC Name: 2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyanoindolizin-2-yl)acetamide Traditional Name: 2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(1-cyanoindolizin-2-yl)acetamide Formula: C21H17BrN6OS MolecularWeight: 481.36828

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CN3C=CC=CC3=C2C#N)C4=CC=C(C=C4)Br

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CN3C=CC=CC3=C2C#N)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H17BrN6OS/c1-2-28-20(14-6-8-15(22)9-7-14)25-26-21(28)30-13-19(29)24-17-12-27-10-4-3-5-18(27)16(17)11-23/h3-10,12H,2,13H2,1H3,(H,24,29)