N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

Systemtic Name: N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide Openeye Name: N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-5-(2-thienyl)-1H-pyrazole-3-carboxamide CAS Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide IUPAC Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide Traditional Name: N-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]-5-(2-thienyl)-1H-pyrazole-3-carboxamide Formula: C17H16N4O5S MolecularWeight: 388.39774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CC(=NN2)C(=O)NC(CO)C(C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CSC(=C1)C2=CC(=NN2)C(=O)NC(CO)C(C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C17H16N4O5S/c22-9-14(16(23)10-3-5-11(6-4-10)21(25)26)18-17(24)13-8-12(19-20-13)15-2-1-7-27-15/h1-8,14,16,22-23H,9H2,(H,18,24)(H,19,20)