sodium 4-[4-(3-ethyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)pyridin-1-yl]butane-1-sulfonate

Systemtic Name: sodium 4-[4-(3-ethyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)pyridin-1-yl]butane-1-sulfonate Openeye Name: sodium 4-[4-(3-ethyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)-1-pyridyl]butane-1-sulfonate CAS Name: sodium 4-[4-(3-ethyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)-1-pyridinyl]-1-butanesulfonate IUPAC Name: sodium 4-[4-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)pyridin-1-yl]butane-1-sulfonate Traditional Name: sodium 4-[4-(3-ethyl-4-keto-2-thioxo-thiazolidin-5-ylidene)-1-pyridyl]butane-1-sulfonate Formula: C14H17N2NaO4S3 MolecularWeight: 396.48055

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C2C=CN(C=C2)CCCCS(=O)(=O)[O-])SC1=S.[Na+]

Isomeric SMILES

CCN1C(=O)C(=C2C=CN(C=C2)CCCCS(=O)(=O)[O-])SC1=S.[Na+]

InChI

InChI=1S/C14H18N2O4S3.Na/c1-2-16-13(17)12(22-14(16)21)11-5-8-15(9-6-11)7-3-4-10-23(18,19)20;/h5-6,8-9H,2-4,7,10H2,1H3,(H,18,19,20);/q;+1/p-1