4-[4-[3-butyl-5-(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-(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-(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-(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-(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-(3-methyl-1,3-benzothiazol-2-ylidene)thiazolidin-2-ylidene]-5-keto-3-methyl-2-pyrazolin-1-yl]-3-chloro-besylic acid Formula: C25H23ClN4O5S3 MolecularWeight: 591.12192

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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=CC=CC=C5S4)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=CC=CC=C5S4)C)C1=O

InChI

InChI=1S/C25H23ClN4O5S3/c1-4-5-12-29-23(32)21(25-28(3)18-8-6-7-9-19(18)36-25)37-24(29)20-14(2)27-30(22(20)31)17-11-10-15(13-16(17)26)38(33,34)35/h6-11,13H,4-5,12H2,1-3H3,(H,33,34,35)