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

Systemtic Name: 4-[(4-chloranylpyrazol-1-yl)methyl]-N-(2-methoxy-4-nitro-phenyl)thiophene-2-carboxamide Openeye Name: 4-[(4-chloropyrazol-1-yl)methyl]-N-(2-methoxy-4-nitro-phenyl)thiophene-2-carboxamide CAS Name: 4-[(4-chloro-1-pyrazolyl)methyl]-N-(2-methoxy-4-nitrophenyl)-2-thiophenecarboxamide IUPAC Name: 4-[(4-chloropyrazol-1-yl)methyl]-N-(2-methoxy-4-nitrophenyl)thiophene-2-carboxamide Traditional Name: 4-[(4-chloropyrazol-1-yl)methyl]-N-(2-methoxy-4-nitro-phenyl)thiophene-2-carboxamide Formula: C16H13ClN4O4S MolecularWeight: 392.81682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2=CC(=CS2)CN3C=C(C=N3)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2=CC(=CS2)CN3C=C(C=N3)Cl

InChI

InChI=1S/C16H13ClN4O4S/c1-25-14-5-12(21(23)24)2-3-13(14)19-16(22)15-4-10(9-26-15)7-20-8-11(17)6-18-20/h2-6,8-9H,7H2,1H3,(H,19,22)