4-[(2Z)-2-(3-ethyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-5-methylsulfanyl-1,3,4-thiadiazol-3-yl]butane-2-sulfonic acid

Systemtic Name: 4-[(2Z)-2-(3-ethyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-5-methylsulfanyl-1,3,4-thiadiazol-3-yl]butane-2-sulfonic acid Openeye Name: 4-[(2Z)-2-(3-ethyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)-5-methylsulfanyl-1,3,4-thiadiazol-3-yl]butane-2-sulfonic acid CAS Name: 4-[(2Z)-2-(3-ethyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)-5-(methylthio)-1,3,4-thiadiazol-3-yl]-2-butanesulfonic acid IUPAC Name: 4-[(2Z)-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-5-methylsulfanyl-1,3,4-thiadiazol-3-yl]butane-2-sulfonic acid Traditional Name: 4-[(2Z)-2-(3-ethyl-4-keto-2-thioxo-thiazolidin-5-ylidene)-5-(methylthio)-1,3,4-thiadiazol-3-yl]butane-2-sulfonic acid Formula: C12H17N3O4S5 MolecularWeight: 427.60608

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C2N(N=C(S2)SC)CCC(C)S(=O)(=O)O)SC1=S

Isomeric SMILES

CCN1C(=O)/C(=C/2\N(N=C(S2)SC)CCC(C)S(=O)(=O)O)/SC1=S

InChI

InChI=1S/C12H17N3O4S5/c1-4-14-9(16)8(22-12(14)20)10-15(13-11(21-3)23-10)6-5-7(2)24(17,18)19/h7H,4-6H2,1-3H3,(H,17,18,19)/b10-8-