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

Systemtic Name: 2-[[5-(4-bromanylthiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)ethanamide Openeye Name: 2-[[5-(4-bromo-2-thienyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-isobutyl-acetamide CAS Name: 2-[[5-(4-bromo-2-thiophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(2-methylpropyl)acetamide IUPAC Name: 2-[[5-(4-bromothiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)acetamide Traditional Name: 2-[[5-(4-bromo-2-thienyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-isobutyl-acetamide Formula: C13H17BrN4OS2 MolecularWeight: 389.33428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)CSC1=NN=C(N1C)C2=CC(=CS2)Br

Isomeric SMILES

CC(C)CNC(=O)CSC1=NN=C(N1C)C2=CC(=CS2)Br

InChI

InChI=1S/C13H17BrN4OS2/c1-8(2)5-15-11(19)7-21-13-17-16-12(18(13)3)10-4-9(14)6-20-10/h4,6,8H,5,7H2,1-3H3,(H,15,19)