4-chloranyl-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[3-(6-ethylsulfonyl-3-pyridazinyl)phenyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[3-(6-esylpyridazin-3-yl)phenyl]-3-nitro-benzamide Formula: C19H15ClN4O5S MolecularWeight: 446.8642

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NN=C(C=C1)C2=CC(=CC=C2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCS(=O)(=O)C1=NN=C(C=C1)C2=CC(=CC=C2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H15ClN4O5S/c1-2-30(28,29)18-9-8-16(22-23-18)12-4-3-5-14(10-12)21-19(25)13-6-7-15(20)17(11-13)24(26)27/h3-11H,2H2,1H3,(H,21,25)