4-[(4E)-4-(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1H-pyridin-2-yl]butane-1-sulfonic acid

Systemtic Name: 4-[(4E)-4-(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1H-pyridin-2-yl]butane-1-sulfonic acid Openeye Name: 4-[(4E)-4-(4-oxo-2-thioxo-thiazolidin-5-ylidene)-1H-pyridin-2-yl]butane-1-sulfonic acid CAS Name: 4-[(4E)-4-(4-oxo-2-sulfanylidene-5-thiazolidinylidene)-1H-pyridin-2-yl]-1-butanesulfonic acid IUPAC Name: 4-[(4E)-4-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1H-pyridin-2-yl]butane-1-sulfonic acid Traditional Name: 4-[(4E)-4-(4-keto-2-thioxo-thiazolidin-5-ylidene)-1H-pyridin-2-yl]butane-1-sulfonic acid Formula: C12H14N2O4S3 MolecularWeight: 346.44556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CNC(=CC1=C2C(=O)NC(=S)S2)CCCCS(=O)(=O)O

Isomeric SMILES

C\1=CNC(=C/C1=C/2\C(=O)NC(=S)S2)CCCCS(=O)(=O)O

InChI

InChI=1S/C12H14N2O4S3/c15-11-10(20-12(19)14-11)8-4-5-13-9(7-8)3-1-2-6-21(16,17)18/h4-5,7,13H,1-3,6H2,(H,14,15,19)(H,16,17,18)/b10-8+