1-[(5-fluoranyl-2-nitro-phenoxy)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide

Systemtic Name: 1-[(5-fluoranyl-2-nitro-phenoxy)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide Openeye Name: 1-[(5-fluoro-2-nitro-phenoxy)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide CAS Name: 1-[(5-fluoro-2-nitrophenoxy)methyl]-N-(2-mercaptoethyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(5-fluoro-2-nitrophenoxy)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide Traditional Name: 1-[(5-fluoro-2-nitro-phenoxy)methyl]-N-(2-mercaptoethyl)pyrazole-3-carboxamide Formula: C13H13FN4O4S MolecularWeight: 340.330123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)OCN2C=CC(=N2)C(=O)NCCS)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1F)OCN2C=CC(=N2)C(=O)NCCS)[N+](=O)[O-]

InChI

InChI=1S/C13H13FN4O4S/c14-9-1-2-11(18(20)21)12(7-9)22-8-17-5-3-10(16-17)13(19)15-4-6-23/h1-3,5,7,23H,4,6,8H2,(H,15,19)