(1H-imidazol-5-ylcarbothioylamino)methanesulfonic acid

Systemtic Name: (1H-imidazol-5-ylcarbothioylamino)methanesulfonic acid Openeye Name: (1H-imidazole-5-carbothioylamino)methanesulfonic acid CAS Name: [[1H-imidazol-5-yl(sulfanylidene)methyl]amino]methanesulfonic acid IUPAC Name: (1H-imidazole-5-carbothioylamino)methanesulfonic acid Traditional Name: (1H-imidazole-5-carbothioylamino)methanesulfonic acid Formula: C5H7N3O3S2 MolecularWeight: 221.25738

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=N1)C(=S)NCS(=O)(=O)O

Isomeric SMILES

C1=C(NC=N1)C(=S)NCS(=O)(=O)O

InChI

InChI=1S/C5H7N3O3S2/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)