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

Systemtic Name: 2-[[4-azanyl-5-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyethyl)ethanamide Openeye Name: 2-[[4-amino-5-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyethyl)acetamide CAS Name: 2-[[4-amino-5-(3-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(2-methoxyethyl)acetamide IUPAC Name: 2-[[4-amino-5-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyethyl)acetamide Traditional Name: 2-[[4-amino-5-(3-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(2-methoxyethyl)acetamide Formula: C13H16BrN5O2S MolecularWeight: 386.26744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)CSC1=NN=C(N1N)C2=CC(=CC=C2)Br

Isomeric SMILES

COCCNC(=O)CSC1=NN=C(N1N)C2=CC(=CC=C2)Br

InChI

InChI=1S/C13H16BrN5O2S/c1-21-6-5-16-11(20)8-22-13-18-17-12(19(13)15)9-3-2-4-10(14)7-9/h2-4,7H,5-6,8,15H2,1H3,(H,16,20)