1-(4-ethynylheptan-4-yl)-3-(5-methylsulfinyl-1,3,4-thiadiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-ol

Systemtic Name: 1-(4-ethynylheptan-4-yl)-3-(5-methylsulfinyl-1,3,4-thiadiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-ol Openeye Name: 1-(1-ethynyl-1-propyl-butyl)-3-(5-methylsulfinyl-1,3,4-thiadiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-ol CAS Name: 1-(4-ethynylheptan-4-yl)-3-(5-methylsulfinyl-1,3,4-thiadiazol-2-yl)-3-oxido-4-imidazolidin-3-iumol IUPAC Name: 1-(4-ethynylheptan-4-yl)-3-(5-methylsulfinyl-1,3,4-thiadiazol-2-yl)-3-oxidoimidazolidin-3-ium-4-ol Traditional Name: 1-(1,1-dipropylprop-2-ynyl)-3-(5-methylsulfinyl-1,3,4-thiadiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-ol Formula: C15H24N4O3S2 MolecularWeight: 372.50606

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)(C#C)N1CC([N+](C1)(C2=NN=C(S2)S(=O)C)[O-])O

Isomeric SMILES

CCCC(CCC)(C#C)N1CC([N+](C1)(C2=NN=C(S2)S(=O)C)[O-])O

InChI

InChI=1S/C15H24N4O3S2/c1-5-8-15(7-3,9-6-2)18-10-12(20)19(21,11-18)13-16-17-14(23-13)24(4)22/h3,12,20H,5-6,8-11H2,1-2,4H3