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

Systemtic Name: N-[3-(3-methylphenoxy)-5-nitro-phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide Openeye Name: N-[3-(3-methylphenoxy)-5-nitro-phenyl]-5-(2-thienyl)-1H-pyrazole-3-carboxamide CAS Name: N-[3-(3-methylphenoxy)-5-nitrophenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide IUPAC Name: N-[3-(3-methylphenoxy)-5-nitrophenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide Traditional Name: N-[3-(3-methylphenoxy)-5-nitro-phenyl]-5-(2-thienyl)-1H-pyrazole-3-carboxamide Formula: C21H16N4O4S MolecularWeight: 420.44114

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N4O4S/c1-13-4-2-5-16(8-13)29-17-10-14(9-15(11-17)25(27)28)22-21(26)19-12-18(23-24-19)20-6-3-7-30-20/h2-12H,1H3,(H,22,26)(H,23,24)