4-[(4-chloranylpyrazol-1-yl)methyl]-N-(4-ethoxy-2-nitro-phenyl)thiophene-2-carboxamide

Systemtic Name: 4-[(4-chloranylpyrazol-1-yl)methyl]-N-(4-ethoxy-2-nitro-phenyl)thiophene-2-carboxamide Openeye Name: 4-[(4-chloropyrazol-1-yl)methyl]-N-(4-ethoxy-2-nitro-phenyl)thiophene-2-carboxamide CAS Name: 4-[(4-chloro-1-pyrazolyl)methyl]-N-(4-ethoxy-2-nitrophenyl)-2-thiophenecarboxamide IUPAC Name: 4-[(4-chloropyrazol-1-yl)methyl]-N-(4-ethoxy-2-nitrophenyl)thiophene-2-carboxamide Traditional Name: 4-[(4-chloropyrazol-1-yl)methyl]-N-(4-ethoxy-2-nitro-phenyl)thiophene-2-carboxamide Formula: C17H15ClN4O4S MolecularWeight: 406.8434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)C2=CC(=CS2)CN3C=C(C=N3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)C2=CC(=CS2)CN3C=C(C=N3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H15ClN4O4S/c1-2-26-13-3-4-14(15(6-13)22(24)25)20-17(23)16-5-11(10-27-16)8-21-9-12(18)7-19-21/h3-7,9-10H,2,8H2,1H3,(H,20,23)