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

Systemtic Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyanocyclopentyl)ethanamide Openeye Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyanocyclopentyl)acetamide CAS Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(1-cyanocyclopentyl)acetamide IUPAC Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyanocyclopentyl)acetamide Traditional Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(1-cyanocyclopentyl)acetamide Formula: C16H16BrN5OS MolecularWeight: 406.30014

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)CSC2=NNC(=N2)C3=CC=CC=C3Br

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)CSC2=NNC(=N2)C3=CC=CC=C3Br

InChI

InChI=1S/C16H16BrN5OS/c17-12-6-2-1-5-11(12)14-19-15(22-21-14)24-9-13(23)20-16(10-18)7-3-4-8-16/h1-2,5-6H,3-4,7-9H2,(H,20,23)(H,19,21,22)