5-nitro-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 5-nitro-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 5-nitro-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzothiophene-2-carboxamide CAS Name: 5-nitro-N-[3-[[1-oxo-2-(1-pyrazolyl)propyl]amino]phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 5-nitro-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-1-benzothiophene-2-carboxamide Traditional Name: 5-nitro-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzothiophene-2-carboxamide Formula: C21H17N5O4S MolecularWeight: 435.45578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])N4C=CC=N4

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])N4C=CC=N4

InChI

InChI=1S/C21H17N5O4S/c1-13(25-9-3-8-22-25)20(27)23-15-4-2-5-16(12-15)24-21(28)19-11-14-10-17(26(29)30)6-7-18(14)31-19/h2-13H,1H3,(H,23,27)(H,24,28)