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

Systemtic Name: 2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanoethyl)-N-methyl-ethanamide Openeye Name: 2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanoethyl)-N-methyl-acetamide CAS Name: 2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-N-(2-cyanoethyl)-N-methylacetamide IUPAC Name: 2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanoethyl)-N-methylacetamide Traditional Name: 2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-N-(2-cyanoethyl)-N-methyl-acetamide Formula: C22H22BrN5OS MolecularWeight: 484.41198

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)CSC1=NN=C(N1CCC2=CC=CC=C2)C3=CC=C(C=C3)Br

Isomeric SMILES

CN(CCC#N)C(=O)CSC1=NN=C(N1CCC2=CC=CC=C2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H22BrN5OS/c1-27(14-5-13-24)20(29)16-30-22-26-25-21(18-8-10-19(23)11-9-18)28(22)15-12-17-6-3-2-4-7-17/h2-4,6-11H,5,12,14-16H2,1H3