3-[(E)-3-azanyl-2-cyano-3-sulfanylidene-prop-1-enyl]-1H-pyrrolo[2,3-b]pyridine-4-sulfonic acid

Systemtic Name: 3-[(E)-3-azanyl-2-cyano-3-sulfanylidene-prop-1-enyl]-1H-pyrrolo[2,3-b]pyridine-4-sulfonic acid Openeye Name: 3-[(E)-3-amino-2-cyano-3-thioxo-prop-1-enyl]-1H-pyrrolo[2,3-b]pyridine-4-sulfonic acid CAS Name: 3-[(E)-3-amino-2-cyano-3-sulfanylideneprop-1-enyl]-1H-pyrrolo[2,3-b]pyridine-4-sulfonic acid IUPAC Name: 3-[(E)-3-amino-2-cyano-3-sulfanylideneprop-1-enyl]-1H-pyrrolo[2,3-b]pyridine-4-sulfonic acid Traditional Name: 3-[(E)-3-amino-2-cyano-3-thioxo-prop-1-enyl]-1H-pyrrolo[2,3-b]pyridine-4-sulfonic acid Formula: C11H8N4O3S2 MolecularWeight: 308.33622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C2C(=C1S(=O)(=O)O)C(=CN2)C=C(C#N)C(=S)N

Isomeric SMILES

C1=CN=C2C(=C1S(=O)(=O)O)C(=CN2)/C=C(\C#N)/C(=S)N

InChI

InChI=1S/C11H8N4O3S2/c12-4-6(10(13)19)3-7-5-15-11-9(7)8(1-2-14-11)20(16,17)18/h1-3,5H,(H2,13,19)(H,14,15)(H,16,17,18)/b6-3+