N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

Systemtic Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide Openeye Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-5-(2-thienyl)-1H-pyrazole-3-carboxamide CAS Name: N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide IUPAC Name: N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide Traditional Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-5-(2-thienyl)-1H-pyrazole-3-carboxamide Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NNC(=C3)C4=CC=CS4)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NNC(=C3)C4=CC=CS4)C

InChI

InChI=1S/C22H18N4O4S/c1-13-6-14(2)8-17(7-13)30-18-10-15(9-16(11-18)26(28)29)23-22(27)20-12-19(24-25-20)21-4-3-5-31-21/h3-12H,1-2H3,(H,23,27)(H,24,25)