4-[(4-chloranylpyrazol-1-yl)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]thiophene-2-carboxamide

Systemtic Name: 4-[(4-chloranylpyrazol-1-yl)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]thiophene-2-carboxamide Openeye Name: 4-[(4-chloropyrazol-1-yl)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]thiophene-2-carboxamide CAS Name: 4-[(4-chloro-1-pyrazolyl)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-2-thiophenecarboxamide IUPAC Name: 4-[(4-chloropyrazol-1-yl)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]thiophene-2-carboxamide Traditional Name: 4-[(4-chloropyrazol-1-yl)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]thiophene-2-carboxamide Formula: C23H19ClN4O4S MolecularWeight: 482.93936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC(=CS3)CN4C=C(C=N4)Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC(=CS3)CN4C=C(C=N4)Cl)C

InChI

InChI=1S/C23H19ClN4O4S/c1-14-3-15(2)5-20(4-14)32-21-8-18(7-19(9-21)28(30)31)26-23(29)22-6-16(13-33-22)11-27-12-17(24)10-25-27/h3-10,12-13H,11H2,1-2H3,(H,26,29)