N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanamide

Systemtic Name: N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanamide Openeye Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide IUPAC Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide Traditional Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C18H19BrN4O3S2 MolecularWeight: 483.40246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)CN2C(=NNC2=S)C3=CC=CS3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)CN2C(=NNC2=S)C3=CC=CS3)Br)OC

InChI

InChI=1S/C18H19BrN4O3S2/c1-25-13-8-11(12(19)9-14(13)26-2)5-6-20-16(24)10-23-17(21-22-18(23)27)15-4-3-7-28-15/h3-4,7-9H,5-6,10H2,1-2H3,(H,20,24)(H,22,27)