N'-methyl-1-[2-(4-nitrothiophen-2-yl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carbohydrazide

Systemtic Name: N'-methyl-1-[2-(4-nitrothiophen-2-yl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carbohydrazide Openeye Name: N'-methyl-1-[2-(4-nitro-2-thienyl)-2-oxo-ethyl]pyridin-1-ium-3-carbohydrazide CAS Name: N'-methyl-1-[2-(4-nitro-2-thiophenyl)-2-oxoethyl]-3-pyridin-1-iumcarbohydrazide IUPAC Name: N'-methyl-1-[2-(4-nitrothiophen-2-yl)-2-oxoethyl]pyridin-1-ium-3-carbohydrazide Traditional Name: 1-[2-keto-2-(4-nitro-2-thienyl)ethyl]-N'-methyl-pyridin-1-ium-3-carbohydrazide Formula: C13H13N4O4S+ MolecularWeight: 321.33172

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Descriptors Computed from Structure

Canonical SMILES:

CNNC(=O)C1=C[N+](=CC=C1)CC(=O)C2=CC(=CS2)[N+](=O)[O-]

Isomeric SMILES

CNNC(=O)C1=C[N+](=CC=C1)CC(=O)C2=CC(=CS2)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O4S/c1-14-15-13(19)9-3-2-4-16(6-9)7-11(18)12-5-10(8-22-12)17(20)21/h2-6,8,14H,7H2,1H3/p+1