4-[4-[3-butyl-5-(5-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-1,3-thiazolidin-2-ylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]-3-chloranyl-benzenesulfonic acid

Systemtic Name: 4-[4-[3-butyl-5-(5-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-1,3-thiazolidin-2-ylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]-3-chloranyl-benzenesulfonic acid Openeye Name: 4-[4-[3-butyl-5-(5-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-thiazolidin-2-ylidene]-3-methyl-5-oxo-pyrazol-1-yl]-3-chloro-benzenesulfonic acid CAS Name: 4-[4-[3-butyl-5-(5-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-thiazolidinylidene]-3-methyl-5-oxo-1-pyrazolyl]-3-chlorobenzenesulfonic acid IUPAC Name: 4-[4-[3-butyl-5-(5-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-2-ylidene]-3-methyl-5-oxopyrazol-1-yl]-3-chlorobenzenesulfonic acid Traditional Name: 4-[4-[3-butyl-4-keto-5-(5-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)thiazolidin-2-ylidene]-5-keto-3-methyl-2-pyrazolin-1-yl]-3-chloro-besylic acid Formula: C26H25ClN4O6S3 MolecularWeight: 621.1479

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C2C(=NN(C2=O)C3=C(C=C(C=C3)S(=O)(=O)O)Cl)C)SC(=C4N(C5=C(S4)C=CC(=C5)OC)C)C1=O

Isomeric SMILES

CCCCN1C(=C2C(=NN(C2=O)C3=C(C=C(C=C3)S(=O)(=O)O)Cl)C)SC(=C4N(C5=C(S4)C=CC(=C5)OC)C)C1=O

InChI

InChI=1S/C26H25ClN4O6S3/c1-5-6-11-30-24(33)22(26-29(3)19-12-15(37-4)7-10-20(19)38-26)39-25(30)21-14(2)28-31(23(21)32)18-9-8-16(13-17(18)27)40(34,35)36/h7-10,12-13H,5-6,11H2,1-4H3,(H,34,35,36)