4-[(2-oxidanyl-3-sulfanylidene-propyl)carbamoyl]-1H-imidazole-5-carboxylic acid

Systemtic Name: 4-[(2-oxidanyl-3-sulfanylidene-propyl)carbamoyl]-1H-imidazole-5-carboxylic acid Openeye Name: 4-[(2-hydroxy-3-thioxo-propyl)carbamoyl]-1H-imidazole-5-carboxylic acid CAS Name: 4-[[(2-hydroxy-3-sulfanylidenepropyl)amino]-oxomethyl]-1H-imidazole-5-carboxylic acid IUPAC Name: 4-[(2-hydroxy-3-sulfanylidenepropyl)carbamoyl]-1H-imidazole-5-carboxylic acid Traditional Name: 4-[(2-hydroxy-3-thioxo-propyl)carbamoyl]-1H-imidazole-5-carboxylic acid Formula: C8H9N3O4S MolecularWeight: 243.23976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H9N3O4S/c12-4(2-16)1-9-7(13)5-6(8(14)15)11-3-10-5/h2-4,12H,1H2,(H,9,13)(H,10,11)(H,14,15)