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

Systemtic Name: 3-oxidanidyl-3-(5-pentylsulfinyl-1,3,4-thiadiazol-2-yl)-1-prop-2-enyl-imidazolidin-3-ium-4-ol Openeye Name: 1-allyl-3-oxido-3-(5-pentylsulfinyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-ol CAS Name: 3-oxido-3-(5-pentylsulfinyl-1,3,4-thiadiazol-2-yl)-1-prop-2-enyl-4-imidazolidin-3-iumol IUPAC Name: 3-oxido-3-(5-pentylsulfinyl-1,3,4-thiadiazol-2-yl)-1-prop-2-enylimidazolidin-3-ium-4-ol Traditional Name: 1-allyl-3-(5-amylsulfinyl-1,3,4-thiadiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-ol Formula: C13H22N4O3S2 MolecularWeight: 346.46878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)C1=NN=C(S1)[N+]2(CN(CC2O)CC=C)[O-]

Isomeric SMILES

CCCCCS(=O)C1=NN=C(S1)[N+]2(CN(CC2O)CC=C)[O-]

InChI

InChI=1S/C13H22N4O3S2/c1-3-5-6-8-22(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