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

Systemtic Name: 4-[(4-chloranylpyrazol-1-yl)methyl]-N-[3-(2-methylphenoxy)-5-nitro-phenyl]thiophene-2-carboxamide Openeye Name: 4-[(4-chloropyrazol-1-yl)methyl]-N-[3-(2-methylphenoxy)-5-nitro-phenyl]thiophene-2-carboxamide CAS Name: 4-[(4-chloro-1-pyrazolyl)methyl]-N-[3-(2-methylphenoxy)-5-nitrophenyl]-2-thiophenecarboxamide IUPAC Name: 4-[(4-chloropyrazol-1-yl)methyl]-N-[3-(2-methylphenoxy)-5-nitrophenyl]thiophene-2-carboxamide Traditional Name: 4-[(4-chloropyrazol-1-yl)methyl]-N-[3-(2-methylphenoxy)-5-nitro-phenyl]thiophene-2-carboxamide Formula: C22H17ClN4O4S MolecularWeight: 468.91278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC(=CS3)CN4C=C(C=N4)Cl

Isomeric SMILES

CC1=CC=CC=C1OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC(=CS3)CN4C=C(C=N4)Cl

InChI

InChI=1S/C22H17ClN4O4S/c1-14-4-2-3-5-20(14)31-19-8-17(7-18(9-19)27(29)30)25-22(28)21-6-15(13-32-21)11-26-12-16(23)10-24-26/h2-10,12-13H,11H2,1H3,(H,25,28)