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

Systemtic Name: 5-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide Openeye Name: 5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide CAS Name: 5-[(4-bromo-3-nitro-1-pyrazolyl)methyl]-N-(2-mercaptoethyl)-2-furancarboxamide IUPAC Name: 5-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide Traditional Name: 5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-N-(2-mercaptoethyl)-2-furamide Formula: C11H11BrN4O4S MolecularWeight: 375.19844

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(OC(=C1)C(=O)NCCS)CN2C=C(C(=N2)[N+](=O)[O-])Br

Isomeric SMILES

C1=C(OC(=C1)C(=O)NCCS)CN2C=C(C(=N2)[N+](=O)[O-])Br

InChI

InChI=1S/C11H11BrN4O4S/c12-8-6-15(14-10(8)16(18)19)5-7-1-2-9(20-7)11(17)13-3-4-21/h1-2,6,21H,3-5H2,(H,13,17)