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

Systemtic Name: N-[(2-bromophenyl)methyl]-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-ethanamide Openeye Name: N-[(2-bromophenyl)methyl]-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-acetamide CAS Name: N-[(2-bromophenyl)methyl]-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-methylacetamide IUPAC Name: N-[(2-bromophenyl)methyl]-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide Traditional Name: N-(2-bromobenzyl)-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-methyl-acetamide Formula: C19H20BrN5OS MolecularWeight: 446.364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N(C)CC2=CC=CC=C2Br)C3=CC=NC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N(C)CC2=CC=CC=C2Br)C3=CC=NC=C3

InChI

InChI=1S/C19H20BrN5OS/c1-3-25-18(14-8-10-21-11-9-14)22-23-19(25)27-13-17(26)24(2)12-15-6-4-5-7-16(15)20/h4-11H,3,12-13H2,1-2H3