4-(2-dimethylaminoethylsulfanylmethyl)-5-oxidanidyl-1,2,5-oxadiazol-5-ium-3-carbonitrile

Systemtic Name: 4-(2-dimethylaminoethylsulfanylmethyl)-5-oxidanidyl-1,2,5-oxadiazol-5-ium-3-carbonitrile Openeye Name: 4-(2-dimethylaminoethylsulfanylmethyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-carbonitrile CAS Name: 4-[(2-dimethylaminoethylthio)methyl]-5-oxido-1,2,5-oxadiazol-5-ium-3-carbonitrile IUPAC Name: 4-(2-dimethylaminoethylsulfanylmethyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-carbonitrile Traditional Name: 4-[(2-dimethylaminoethylthio)methyl]-5-oxido-furazan-5-ium-3-carbonitrile Formula: C8H12N4O2S MolecularWeight: 228.27148

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSCC1=[N+](ON=C1C#N)[O-]

Isomeric SMILES

CN(C)CCSCC1=[N+](ON=C1C#N)[O-]

InChI

InChI=1S/C8H12N4O2S/c1-11(2)3-4-15-6-8-7(5-9)10-14-12(8)13/h3-4,6H2,1-2H3