2-[3-[(4-bromanyl-2,5-dimethoxy-phenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]ethanamide

Systemtic Name: 2-[3-[(4-bromanyl-2,5-dimethoxy-phenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]ethanamide Openeye Name: 2-[3-[(4-bromo-2,5-dimethoxy-phenyl)methylsulfanyl]-5-(2-thienyl)-1,2,4-triazol-4-yl]acetamide CAS Name: 2-[3-[(4-bromo-2,5-dimethoxyphenyl)methylthio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]acetamide IUPAC Name: 2-[3-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]acetamide Traditional Name: 2-[3-[(4-bromo-2,5-dimethoxy-benzyl)thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]acetamide Formula: C17H17BrN4O3S2 MolecularWeight: 469.37588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CSC2=NN=C(N2CC(=O)N)C3=CC=CS3)OC)Br

Isomeric SMILES

COC1=CC(=C(C=C1CSC2=NN=C(N2CC(=O)N)C3=CC=CS3)OC)Br

InChI

InChI=1S/C17H17BrN4O3S2/c1-24-12-7-11(18)13(25-2)6-10(12)9-27-17-21-20-16(14-4-3-5-26-14)22(17)8-15(19)23/h3-7H,8-9H2,1-2H3,(H2,19,23)