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4-(carboxymethyl)-1,5-dimethyl-1,2,4-triazol-4-ium-3-thiolate

4-(carboxymethyl)-1,5-dimethyl-1,2,4-triazol-4-ium-3-thiolate

Systemtic Name:4-(carboxymethyl)-1,5-dimethyl-1,2,4-triazol-4-ium-3-thiolate
Openeye Name:4-(carboxymethyl)-1,5-dimethyl-1,2,4-triazol-4-ium-3-thiolate
CAS Name:4-(carboxymethyl)-1,5-dimethyl-1,2,4-triazol-4-ium-3-thiolate
IUPAC Name:4-(carboxymethyl)-1,5-dimethyl-1,2,4-triazol-4-ium-3-thiolate
Traditional Name:4-(carboxymethyl)-1,5-dimethyl-1,2,4-triazol-4-ium-3-thiolate
Formula: C6H9N3O2S
MolecularWeight: 187.21956
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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=NN1C)[S-])CC(=O)O


Isomeric SMILES

CC1=[N+](C(=NN1C)[S-])CC(=O)O


InChI

InChI=1S/C6H9N3O2S/c1-4-8(2)7-6(12)9(4)3-5(10)11/h3H2,1-2H3,(H-,7,10,11,12)


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