potassium 3-[(2E)-2-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonate

Systemtic Name: potassium 3-[(2E)-2-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonate Openeye Name: potassium 3-[(2E)-2-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonate CAS Name: potassium 3-[(2E)-2-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)-1,3-benzothiazol-3-yl]-1-propanesulfonate IUPAC Name: potassium 3-[(2E)-2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonate Traditional Name: potassium 3-[(2E)-2-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonate Formula: C20H18KN3O4S2 MolecularWeight: 467.60292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C2N(C3=CC=CC=C3S2)CCCS(=O)(=O)[O-])C4=CC=CC=C4.[K+]

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/2\N(C3=CC=CC=C3S2)CCCS(=O)(=O)[O-])C4=CC=CC=C4.[K+]

InChI

InChI=1S/C20H19N3O4S2.K/c1-14-18(19(24)23(21-14)15-8-3-2-4-9-15)20-22(12-7-13-29(25,26)27)16-10-5-6-11-17(16)28-20;/h2-6,8-11H,7,12-13H2,1H3,(H,25,26,27);/q;+1/p-1/b20-18+;