2-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(methylcarbamoyl)propanamide

Systemtic Name: 2-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(methylcarbamoyl)propanamide Openeye Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(methylcarbamoyl)propanamide CAS Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(methylcarbamoyl)propanamide IUPAC Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(methylcarbamoyl)propanamide Traditional Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(methylcarbamoyl)propionamide Formula: C13H15BrN6O2S MolecularWeight: 399.2662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC)SC1=NN=C(N1N)C2=CC=CC=C2Br

Isomeric SMILES

CC(C(=O)NC(=O)NC)SC1=NN=C(N1N)C2=CC=CC=C2Br

InChI

InChI=1S/C13H15BrN6O2S/c1-7(11(21)17-12(22)16-2)23-13-19-18-10(20(13)15)8-5-3-4-6-9(8)14/h3-7H,15H2,1-2H3,(H2,16,17,21,22)