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

Systemtic Name: 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-yl-ethanamide Openeye Name: 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-naphthyl)acetamide CAS Name: 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(1-naphthalenyl)acetamide IUPAC Name: 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide Traditional Name: 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(1-naphthyl)acetamide Formula: C21H17BrN4OS MolecularWeight: 453.35488

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC=CC3=CC=CC=C32)C4=CC=C(C=C4)Br

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC=CC3=CC=CC=C32)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H17BrN4OS/c1-26-20(15-9-11-16(22)12-10-15)24-25-21(26)28-13-19(27)23-18-8-4-6-14-5-2-3-7-17(14)18/h2-12H,13H2,1H3,(H,23,27)