diethyl-[2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylethyl]azanium

Systemtic Name: diethyl-[2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylethyl]azanium Openeye Name: diethyl-[2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylethyl]ammonium CAS Name: diethyl-[2-[[6-(3-nitrophenyl)-3-pyridazinyl]thio]ethyl]ammonium IUPAC Name: diethyl-[2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylethyl]azanium Traditional Name: diethyl-[2-[[6-(3-nitrophenyl)pyridazin-3-yl]thio]ethyl]ammonium Formula: C16H21N4O2S+ MolecularWeight: 333.42854

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCSC1=NN=C(C=C1)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCSC1=NN=C(C=C1)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O2S/c1-3-19(4-2)10-11-23-16-9-8-15(17-18-16)13-6-5-7-14(12-13)20(21)22/h5-9,12H,3-4,10-11H2,1-2H3/p+1