4-[(4E)-4-[(2E)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonate

Systemtic Name: 4-[(4E)-4-[(2E)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonate Openeye Name: 4-[(4E)-4-[(2E)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-3-methyl-5-oxo-pyrazol-1-yl]benzenesulfonate CAS Name: 4-[(4E)-4-[(2E)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-3-methyl-5-oxo-1-pyrazolyl]benzenesulfonate IUPAC Name: 4-[(4E)-4-[(2E)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonate Traditional Name: 4-[(4E)-4-[(2E)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-5-keto-3-methyl-2-pyrazolin-1-yl]besylate Formula: C21H18N3O4S2- MolecularWeight: 440.51532

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC1=CC=C3C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)[O-])C

Isomeric SMILES

CCN\1C2=CC=CC=C2S/C1=C/C=C/3\C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)[O-])C

InChI

InChI=1S/C21H19N3O4S2/c1-3-23-18-6-4-5-7-19(18)29-20(23)13-12-17-14(2)22-24(21(17)25)15-8-10-16(11-9-15)30(26,27)28/h4-13H,3H2,1-2H3,(H,26,27,28)/p-1/b17-12+,20-13+