4-azanyl-3-sulfanylidene-cyclohexa-1,5-diene-1-carboxylic acid

Systemtic Name: 4-azanyl-3-sulfanylidene-cyclohexa-1,5-diene-1-carboxylic acid Openeye Name: 4-amino-3-thioxo-cyclohexa-1,5-diene-1-carboxylic acid CAS Name: 4-amino-3-sulfanylidene-1-cyclohexa-1,5-dienecarboxylic acid IUPAC Name: 4-amino-3-sulfanylidenecyclohexa-1,5-diene-1-carboxylic acid Traditional Name: 4-amino-3-thioxo-cyclohexa-1,5-diene-1-carboxylic acid Formula: C7H7NO2S MolecularWeight: 169.20098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=S)C1N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=S)C1N)C(=O)O

InChI

InChI=1S/C7H7NO2S/c8-5-2-1-4(7(9)10)3-6(5)11/h1-3,5H,8H2,(H,9,10)