3-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-3-oxidanidyl-1-prop-2-ynyl-imidazolidin-3-ium-4-ol

Systemtic Name: 3-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-3-oxidanidyl-1-prop-2-ynyl-imidazolidin-3-ium-4-ol Openeye Name: 3-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-3-oxido-1-prop-2-ynyl-imidazolidin-3-ium-4-ol CAS Name: 3-[5-(butylthio)-1,3,4-thiadiazol-2-yl]-3-oxido-1-prop-2-ynyl-4-imidazolidin-3-iumol IUPAC Name: 3-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-3-oxido-1-prop-2-ynylimidazolidin-3-ium-4-ol Traditional Name: 3-[5-(butylthio)-1,3,4-thiadiazol-2-yl]-3-oxido-1-propargyl-imidazolidin-3-ium-4-ol Formula: C12H18N4O2S2 MolecularWeight: 314.42692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(S1)[N+]2(CN(CC2O)CC#C)[O-]

Isomeric SMILES

CCCCSC1=NN=C(S1)[N+]2(CN(CC2O)CC#C)[O-]

InChI

InChI=1S/C12H18N4O2S2/c1-3-5-7-19-12-14-13-11(20-12)16(18)9-15(6-4-2)8-10(16)17/h2,10,17H,3,5-9H2,1H3