N-[(4-bromanyl-1-ethyl-pyrazol-3-yl)methyl]-4-[(2,5-dimethylphenoxy)methyl]-N-methyl-thiophene-2-carboxamide

Systemtic Name: N-[(4-bromanyl-1-ethyl-pyrazol-3-yl)methyl]-4-[(2,5-dimethylphenoxy)methyl]-N-methyl-thiophene-2-carboxamide Openeye Name: N-[(4-bromo-1-ethyl-pyrazol-3-yl)methyl]-4-[(2,5-dimethylphenoxy)methyl]-N-methyl-thiophene-2-carboxamide CAS Name: N-[(4-bromo-1-ethyl-3-pyrazolyl)methyl]-4-[(2,5-dimethylphenoxy)methyl]-N-methyl-2-thiophenecarboxamide IUPAC Name: N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-4-[(2,5-dimethylphenoxy)methyl]-N-methylthiophene-2-carboxamide Traditional Name: N-[(4-bromo-1-ethyl-pyrazol-3-yl)methyl]-4-[(2,5-dimethylphenoxy)methyl]-N-methyl-thiophene-2-carboxamide Formula: C21H24BrN3O2S MolecularWeight: 462.40316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)CN(C)C(=O)C2=CC(=CS2)COC3=C(C=CC(=C3)C)C)Br

Isomeric SMILES

CCN1C=C(C(=N1)CN(C)C(=O)C2=CC(=CS2)COC3=C(C=CC(=C3)C)C)Br

InChI

InChI=1S/C21H24BrN3O2S/c1-5-25-10-17(22)18(23-25)11-24(4)21(26)20-9-16(13-28-20)12-27-19-8-14(2)6-7-15(19)3/h6-10,13H,5,11-12H2,1-4H3