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

Systemtic Name: 4-[(4E)-4-(3-ethyl-1,3-benzothiazol-2-ylidene)-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 4-[(4E)-4-(3-ethyl-1,3-benzothiazol-2-ylidene)-3-methyl-5-oxo-pyrazol-1-yl]benzenesulfonic acid CAS Name: 4-[(4E)-4-(3-ethyl-1,3-benzothiazol-2-ylidene)-3-methyl-5-oxo-1-pyrazolyl]benzenesulfonic acid IUPAC Name: 4-[(4E)-4-(3-ethyl-1,3-benzothiazol-2-ylidene)-3-methyl-5-oxopyrazol-1-yl]benzenesulfonic acid Traditional Name: 4-[(4E)-4-(3-ethyl-1,3-benzothiazol-2-ylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]besylic acid Formula: C19H17N3O4S2 MolecularWeight: 415.48598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O4S2/c1-3-21-15-6-4-5-7-16(15)27-19(21)17-12(2)20-22(18(17)23)13-8-10-14(11-9-13)28(24,25)26/h4-11H,3H2,1-2H3,(H,24,25,26)/b19-17+