3,5-dinitro-N-[2-(6-oxidanylidene-3-thiophen-2-yl-pyridazin-1-yl)ethyl]benzamide

Systemtic Name: 3,5-dinitro-N-[2-(6-oxidanylidene-3-thiophen-2-yl-pyridazin-1-yl)ethyl]benzamide Openeye Name: 3,5-dinitro-N-[2-[6-oxo-3-(2-thienyl)pyridazin-1-yl]ethyl]benzamide CAS Name: 3,5-dinitro-N-[2-(6-oxo-3-thiophen-2-yl-1-pyridazinyl)ethyl]benzamide IUPAC Name: 3,5-dinitro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide Traditional Name: N-[2-[6-keto-3-(2-thienyl)pyridazin-1-yl]ethyl]-3,5-dinitro-benzamide Formula: C17H13N5O6S MolecularWeight: 415.38002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NN(C(=O)C=C2)CCNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CSC(=C1)C2=NN(C(=O)C=C2)CCNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H13N5O6S/c23-16-4-3-14(15-2-1-7-29-15)19-20(16)6-5-18-17(24)11-8-12(21(25)26)10-13(9-11)22(27)28/h1-4,7-10H,5-6H2,(H,18,24)