sodium (1H-imidazol-5-ylcarbothioylamino)methanesulfonate

Systemtic Name: sodium (1H-imidazol-5-ylcarbothioylamino)methanesulfonate Openeye Name: sodium (1H-imidazole-5-carbothioylamino)methanesulfonate CAS Name: sodium [[1H-imidazol-5-yl(sulfanylidene)methyl]amino]methanesulfonate IUPAC Name: sodium (1H-imidazole-5-carbothioylamino)methanesulfonate Traditional Name: sodium (1H-imidazole-5-carbothioylamino)methanesulfonate Formula: C5H6N3NaO3S2 MolecularWeight: 243.23921

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=N1)C(=S)NCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=C(NC=N1)C(=S)NCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C5H7N3O3S2.Na/c9-13(10,11)3-8-5(12)4-1-6-2-7-4;/h1-2H,3H2,(H,6,7)(H,8,12)(H,9,10,11);/q;+1/p-1