sodium (1-methyl-5-propyl-3-sulfanidyl-1,2,4-triazolidin-4-yl)methanesulfonate

Systemtic Name: sodium (1-methyl-5-propyl-3-sulfanidyl-1,2,4-triazolidin-4-yl)methanesulfonate Openeye Name: sodium (1-methyl-5-propyl-3-sulfido-1,2,4-triazolidin-4-yl)methanesulfonate CAS Name: sodium (1-methyl-5-propyl-3-sulfido-1,2,4-triazolidin-4-yl)methanesulfonate IUPAC Name: sodium (1-methyl-5-propyl-3-sulfido-1,2,4-triazolidin-4-yl)methanesulfonate Traditional Name: sodium (1-methyl-5-propyl-3-sulfido-1,2,4-triazolidin-4-yl)methanesulfonate Formula: C7H15N3NaO3S2- MolecularWeight: 276.33207

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1N(NC(N1CS(=O)(=O)[O-])[S-])C.[Na+]

Isomeric SMILES

CCCC1N(NC(N1CS(=O)(=O)[O-])[S-])C.[Na+]

InChI

InChI=1S/C7H17N3O3S2.Na/c1-3-4-6-9(2)8-7(14)10(6)5-15(11,12)13;/h6-8,14H,3-5H2,1-2H3,(H,11,12,13);/q;+1/p-2