N-hexyl-2-(3-nitrophenyl)-5-thiophen-2-yl-pyrazole-3-carboxamide

Systemtic Name: N-hexyl-2-(3-nitrophenyl)-5-thiophen-2-yl-pyrazole-3-carboxamide Openeye Name: N-hexyl-2-(3-nitrophenyl)-5-(2-thienyl)pyrazole-3-carboxamide CAS Name: N-hexyl-2-(3-nitrophenyl)-5-thiophen-2-yl-3-pyrazolecarboxamide IUPAC Name: N-hexyl-2-(3-nitrophenyl)-5-thiophen-2-ylpyrazole-3-carboxamide Traditional Name: N-hexyl-2-(3-nitrophenyl)-5-(2-thienyl)pyrazole-3-carboxamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=CC(=NN1C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

CCCCCCNC(=O)C1=CC(=NN1C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C20H22N4O3S/c1-2-3-4-5-11-21-20(25)18-14-17(19-10-7-12-28-19)22-23(18)15-8-6-9-16(13-15)24(26)27/h6-10,12-14H,2-5,11H2,1H3,(H,21,25)