2-chloranyl-4-nitro-N-[2-(6-oxidanylidene-3-thiophen-2-yl-pyridazin-1-yl)ethyl]benzamide

Systemtic Name: 2-chloranyl-4-nitro-N-[2-(6-oxidanylidene-3-thiophen-2-yl-pyridazin-1-yl)ethyl]benzamide Openeye Name: 2-chloro-4-nitro-N-[2-[6-oxo-3-(2-thienyl)pyridazin-1-yl]ethyl]benzamide CAS Name: 2-chloro-4-nitro-N-[2-(6-oxo-3-thiophen-2-yl-1-pyridazinyl)ethyl]benzamide IUPAC Name: 2-chloro-4-nitro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide Traditional Name: 2-chloro-N-[2-[6-keto-3-(2-thienyl)pyridazin-1-yl]ethyl]-4-nitro-benzamide Formula: C17H13ClN4O4S MolecularWeight: 404.82752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13ClN4O4S/c18-13-10-11(22(25)26)3-4-12(13)17(24)19-7-8-21-16(23)6-5-14(20-21)15-2-1-9-27-15/h1-6,9-10H,7-8H2,(H,19,24)