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

Systemtic Name: bromanylcyclopropane; 5-(methoxymethyl)-3-oxidanidyl-3-(5-prop-2-enyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-ol Openeye Name: 3-(5-allyl-1,3,4-thiadiazol-2-yl)-5-(methoxymethyl)-3-oxido-imidazolidin-3-ium-4-ol; bromocyclopropane CAS Name: bromocyclopropane; 5-(methoxymethyl)-3-oxido-3-(5-prop-2-enyl-1,3,4-thiadiazol-2-yl)-4-imidazolidin-3-iumol IUPAC Name: bromocyclopropane; 5-(methoxymethyl)-3-oxido-3-(5-prop-2-enyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-ol Traditional Name: 3-(5-allyl-1,3,4-thiadiazol-2-yl)-5-(methoxymethyl)-3-oxido-imidazolidin-3-ium-4-ol; bromocyclopropane Formula: C13H21BrN4O3S MolecularWeight: 393.29984

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Descriptors Computed from Structure

Canonical SMILES:

COCC1C([N+](CN1)(C2=NN=C(S2)CC=C)[O-])O.C1CC1Br

Isomeric SMILES

COCC1C([N+](CN1)(C2=NN=C(S2)CC=C)[O-])O.C1CC1Br

InChI

InChI=1S/C10H16N4O3S.C3H5Br/c1-3-4-8-12-13-10(18-8)14(16)6-11-7(5-17-2)9(14)15;4-3-1-2-3/h3,7,9,11,15H,1,4-6H2,2H3;3H,1-2H2