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

Systemtic Name: 3-oxidanidyl-3-(5-pentylsulfanyl-1,3,4-thiadiazol-2-yl)-1-prop-2-enyl-imidazolidin-3-ium-4-ol Openeye Name: 1-allyl-3-oxido-3-(5-pentylsulfanyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-ol CAS Name: 3-oxido-3-[5-(pentylthio)-1,3,4-thiadiazol-2-yl]-1-prop-2-enyl-4-imidazolidin-3-iumol IUPAC Name: 3-oxido-3-(5-pentylsulfanyl-1,3,4-thiadiazol-2-yl)-1-prop-2-enylimidazolidin-3-ium-4-ol Traditional Name: 1-allyl-3-[5-(amylthio)-1,3,4-thiadiazol-2-yl]-3-oxido-imidazolidin-3-ium-4-ol Formula: C13H22N4O2S2 MolecularWeight: 330.46938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NN=C(S1)[N+]2(CN(CC2O)CC=C)[O-]

Isomeric SMILES

CCCCCSC1=NN=C(S1)[N+]2(CN(CC2O)CC=C)[O-]

InChI

InChI=1S/C13H22N4O2S2/c1-3-5-6-8-20-13-15-14-12(21-13)17(19)10-16(7-4-2)9-11(17)18/h4,11,18H,2-3,5-10H2,1H3