N-[(4-bromanyl-2-ethyl-pyrazol-3-yl)methyl]-4-(phenoxymethyl)thiophene-2-carboxamide

Systemtic Name: N-[(4-bromanyl-2-ethyl-pyrazol-3-yl)methyl]-4-(phenoxymethyl)thiophene-2-carboxamide Openeye Name: N-[(4-bromo-2-ethyl-pyrazol-3-yl)methyl]-4-(phenoxymethyl)thiophene-2-carboxamide CAS Name: N-[(4-bromo-2-ethyl-3-pyrazolyl)methyl]-4-(phenoxymethyl)-2-thiophenecarboxamide IUPAC Name: N-[(4-bromo-2-ethylpyrazol-3-yl)methyl]-4-(phenoxymethyl)thiophene-2-carboxamide Traditional Name: N-[(4-bromo-2-ethyl-pyrazol-3-yl)methyl]-4-(phenoxymethyl)thiophene-2-carboxamide Formula: C18H18BrN3O2S MolecularWeight: 420.32342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN3O2S/c1-2-22-16(15(19)9-21-22)10-20-18(23)17-8-13(12-25-17)11-24-14-6-4-3-5-7-14/h3-9,12H,2,10-11H2,1H3,(H,20,23)