3-[5-(1,3-benzothiazol-2-ylimino)-3-methyl-4H-pyrazol-1-yl]benzenesulfonic acid

Systemtic Name: 3-[5-(1,3-benzothiazol-2-ylimino)-3-methyl-4H-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 3-[5-(1,3-benzothiazol-2-ylimino)-3-methyl-4H-pyrazol-1-yl]benzenesulfonic acid CAS Name: 3-[5-(1,3-benzothiazol-2-ylimino)-3-methyl-4H-pyrazol-1-yl]benzenesulfonic acid IUPAC Name: 3-[5-(1,3-benzothiazol-2-ylimino)-3-methyl-4H-pyrazol-1-yl]benzenesulfonic acid Traditional Name: 3-[5-(1,3-benzothiazol-2-ylimino)-3-methyl-2-pyrazolin-1-yl]besylic acid Formula: C17H14N4O3S2 MolecularWeight: 386.44806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=NC2=NC3=CC=CC=C3S2)C1)C4=CC(=CC=C4)S(=O)(=O)O

Isomeric SMILES

CC1=NN(C(=NC2=NC3=CC=CC=C3S2)C1)C4=CC(=CC=C4)S(=O)(=O)O

InChI

InChI=1S/C17H14N4O3S2/c1-11-9-16(19-17-18-14-7-2-3-8-15(14)25-17)21(20-11)12-5-4-6-13(10-12)26(22,23)24/h2-8,10H,9H2,1H3,(H,22,23,24)