N-[(2S)-butan-2-yl]-2-(3-nitrophenyl)-5-thiophen-2-yl-pyrazole-3-carboxamide

Systemtic Name: N-[(2S)-butan-2-yl]-2-(3-nitrophenyl)-5-thiophen-2-yl-pyrazole-3-carboxamide Openeye Name: N-[(1S)-1-methylpropyl]-2-(3-nitrophenyl)-5-(2-thienyl)pyrazole-3-carboxamide CAS Name: N-[(2S)-butan-2-yl]-2-(3-nitrophenyl)-5-thiophen-2-yl-3-pyrazolecarboxamide IUPAC Name: N-[(2S)-butan-2-yl]-2-(3-nitrophenyl)-5-thiophen-2-ylpyrazole-3-carboxamide Traditional Name: N-[(1S)-1-methylpropyl]-2-(3-nitrophenyl)-5-(2-thienyl)pyrazole-3-carboxamide Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC(=NN1C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

CC[C@H](C)NC(=O)C1=CC(=NN1C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C18H18N4O3S/c1-3-12(2)19-18(23)16-11-15(17-8-5-9-26-17)20-21(16)13-6-4-7-14(10-13)22(24)25/h4-12H,3H2,1-2H3,(H,19,23)/t12-/m0/s1