3-(2-bromanyl-4,5-dimethoxy-phenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide

Systemtic Name: 3-(2-bromanyl-4,5-dimethoxy-phenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide Openeye Name: 3-(2-bromo-4,5-dimethoxy-phenyl)-N-(5-tetrahydrofuran-2-yl-1,3,4-thiadiazol-2-yl)propanamide CAS Name: 3-(2-bromo-4,5-dimethoxyphenyl)-N-[5-(2-oxolanyl)-1,3,4-thiadiazol-2-yl]propanamide IUPAC Name: 3-(2-bromo-4,5-dimethoxyphenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide Traditional Name: 3-(2-bromo-4,5-dimethoxy-phenyl)-N-[5-(tetrahydrofuryl)-1,3,4-thiadiazol-2-yl]propionamide Formula: C17H20BrN3O4S MolecularWeight: 442.3274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCC(=O)NC2=NN=C(S2)C3CCCO3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCC(=O)NC2=NN=C(S2)C3CCCO3)Br)OC

InChI

InChI=1S/C17H20BrN3O4S/c1-23-13-8-10(11(18)9-14(13)24-2)5-6-15(22)19-17-21-20-16(26-17)12-4-3-7-25-12/h8-9,12H,3-7H2,1-2H3,(H,19,21,22)