6-butyl-N-(2,4-dinitrophenyl)sulfonyl-1-(4-iodophenyl)-4-oxidanylidene-pyridazine-3-carboxamide

Systemtic Name: 6-butyl-N-(2,4-dinitrophenyl)sulfonyl-1-(4-iodophenyl)-4-oxidanylidene-pyridazine-3-carboxamide Openeye Name: 6-butyl-N-(2,4-dinitrophenyl)sulfonyl-1-(4-iodophenyl)-4-oxo-pyridazine-3-carboxamide CAS Name: 6-butyl-N-(2,4-dinitrophenyl)sulfonyl-1-(4-iodophenyl)-4-oxo-3-pyridazinecarboxamide IUPAC Name: 6-butyl-N-(2,4-dinitrophenyl)sulfonyl-1-(4-iodophenyl)-4-oxopyridazine-3-carboxamide Traditional Name: 6-butyl-N-(2,4-dinitrophenyl)sulfonyl-1-(4-iodophenyl)-4-keto-pyridazine-3-carboxamide Formula: C21H18IN5O8S MolecularWeight: 627.36579

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)C(=NN1C2=CC=C(C=C2)I)C(=O)NS(=O)(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC(=O)C(=NN1C2=CC=C(C=C2)I)C(=O)NS(=O)(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H18IN5O8S/c1-2-3-4-15-12-18(28)20(23-25(15)14-7-5-13(22)6-8-14)21(29)24-36(34,35)19-10-9-16(26(30)31)11-17(19)27(32)33/h5-12H,2-4H2,1H3,(H,24,29)