N,N-diethyl-2-[(5-oxidanidyl-4-phenyl-1,2,5-oxadiazol-5-ium-3-yl)sulfanyl]ethanamine hydrochloride

Systemtic Name: N,N-diethyl-2-[(5-oxidanidyl-4-phenyl-1,2,5-oxadiazol-5-ium-3-yl)sulfanyl]ethanamine hydrochloride Openeye Name: N,N-diethyl-2-[(5-oxido-4-phenyl-1,2,5-oxadiazol-5-ium-3-yl)sulfanyl]ethanamine hydrochloride CAS Name: N,N-diethyl-2-[(5-oxido-4-phenyl-1,2,5-oxadiazol-5-ium-3-yl)thio]ethanamine hydrochloride IUPAC Name: N,N-diethyl-2-[(5-oxido-4-phenyl-1,2,5-oxadiazol-5-ium-3-yl)sulfanyl]ethanamine hydrochloride Traditional Name: diethyl-[2-[(5-oxido-4-phenyl-furazan-5-ium-3-yl)thio]ethyl]amine hydrochloride Formula: C14H20ClN3O2S MolecularWeight: 329.8455

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSC1=NO[N+](=C1C2=CC=CC=C2)[O-].Cl

Isomeric SMILES

CCN(CC)CCSC1=NO[N+](=C1C2=CC=CC=C2)[O-].Cl

InChI

InChI=1S/C14H19N3O2S.ClH/c1-3-16(4-2)10-11-20-14-13(17(18)19-15-14)12-8-6-5-7-9-12;/h5-9H,3-4,10-11H2,1-2H3;1H