N-(3-nitrophenyl)-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxamide

Systemtic Name: N-(3-nitrophenyl)-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-(3-nitrophenyl)-3-(2-thienyl)pyrazole-4-carboxamide CAS Name: N-(3-nitrophenyl)-1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-(3-nitrophenyl)-3-thiophen-2-ylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-(3-nitrophenyl)-3-(2-thienyl)pyrazole-4-carboxamide Formula: C21H16N4O3S MolecularWeight: 404.44174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CS3)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CS3)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O3S/c26-21(22-16-8-4-9-17(12-16)25(27)28)18-14-24(13-15-6-2-1-3-7-15)23-20(18)19-10-5-11-29-19/h1-12,14H,13H2,(H,22,26)