5-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide

Systemtic Name: 5-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide Openeye Name: 5-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide CAS Name: 5-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-N-(2-mercaptoethyl)-2-furancarboxamide IUPAC Name: 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide Traditional Name: 5-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(2-mercaptoethyl)-2-furamide Formula: C13H16BrN3O2S MolecularWeight: 358.25404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(O2)C(=O)NCCS)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(O2)C(=O)NCCS)C)Br

InChI

InChI=1S/C13H16BrN3O2S/c1-8-12(14)9(2)17(16-8)7-10-3-4-11(19-10)13(18)15-5-6-20/h3-4,20H,5-7H2,1-2H3,(H,15,18)