4-iodanyl-2-methyl-N-(3-nitro-5-pyridin-2-ylsulfanyl-phenyl)pyrazole-3-carboxamide

Systemtic Name: 4-iodanyl-2-methyl-N-(3-nitro-5-pyridin-2-ylsulfanyl-phenyl)pyrazole-3-carboxamide Openeye Name: 4-iodo-2-methyl-N-[3-nitro-5-(2-pyridylsulfanyl)phenyl]pyrazole-3-carboxamide CAS Name: 4-iodo-2-methyl-N-[3-nitro-5-(2-pyridinylthio)phenyl]-3-pyrazolecarboxamide IUPAC Name: 4-iodo-2-methyl-N-(3-nitro-5-pyridin-2-ylsulfanylphenyl)pyrazole-3-carboxamide Traditional Name: 4-iodo-2-methyl-N-[3-nitro-5-(2-pyridylthio)phenyl]pyrazole-3-carboxamide Formula: C16H12IN5O3S MolecularWeight: 481.26765

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)I)C(=O)NC2=CC(=CC(=C2)SC3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CN1C(=C(C=N1)I)C(=O)NC2=CC(=CC(=C2)SC3=CC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C16H12IN5O3S/c1-21-15(13(17)9-19-21)16(23)20-10-6-11(22(24)25)8-12(7-10)26-14-4-2-3-5-18-14/h2-9H,1H3,(H,20,23)