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

Systemtic Name: 2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-2-yl-ethanamide Openeye Name: 2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-naphthyl)acetamide CAS Name: 2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(2-naphthalenyl)acetamide IUPAC Name: 2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-2-ylacetamide Traditional Name: 2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(2-naphthyl)acetamide Formula: C22H19BrN4OS MolecularWeight: 467.38146

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC3=CC=CC=C3C=C2)C4=CC=C(C=C4)Br

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC3=CC=CC=C3C=C2)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H19BrN4OS/c1-2-27-21(16-7-10-18(23)11-8-16)25-26-22(27)29-14-20(28)24-19-12-9-15-5-3-4-6-17(15)13-19/h3-13H,2,14H2,1H3,(H,24,28)