sodium 3-(3-isocyano-5-methyl-1,2,4-triazol-1-yl)propane-1-sulfonate

Systemtic Name: sodium 3-(3-isocyano-5-methyl-1,2,4-triazol-1-yl)propane-1-sulfonate Openeye Name: sodium 3-(3-isocyano-5-methyl-1,2,4-triazol-1-yl)propane-1-sulfonate CAS Name: sodium 3-(3-isocyano-5-methyl-1,2,4-triazol-1-yl)-1-propanesulfonate IUPAC Name: sodium 3-(3-isocyano-5-methyl-1,2,4-triazol-1-yl)propane-1-sulfonate Traditional Name: sodium 3-(3-isocyano-5-methyl-1,2,4-triazol-1-yl)propane-1-sulfonate Formula: C7H9N4NaO3S MolecularWeight: 252.22613

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1CCCS(=O)(=O)[O-])[N+]#[C-].[Na+]

Isomeric SMILES

CC1=NC(=NN1CCCS(=O)(=O)[O-])[N+]#[C-].[Na+]

InChI

InChI=1S/C7H10N4O3S.Na/c1-6-9-7(8-2)10-11(6)4-3-5-15(12,13)14;/h3-5H2,1H3,(H,12,13,14);/q;+1/p-1