4-[5-(1,3-benzothiazol-2-ylimino)-3-methyl-4H-pyrazol-1-yl]-2,5-bis(chloranyl)benzenesulfonate

Systemtic Name: 4-[5-(1,3-benzothiazol-2-ylimino)-3-methyl-4H-pyrazol-1-yl]-2,5-bis(chloranyl)benzenesulfonate Openeye Name: 4-[5-(1,3-benzothiazol-2-ylimino)-3-methyl-4H-pyrazol-1-yl]-2,5-dichloro-benzenesulfonate CAS Name: 4-[5-(1,3-benzothiazol-2-ylimino)-3-methyl-4H-pyrazol-1-yl]-2,5-dichlorobenzenesulfonate IUPAC Name: 4-[5-(1,3-benzothiazol-2-ylimino)-3-methyl-4H-pyrazol-1-yl]-2,5-dichlorobenzenesulfonate Traditional Name: 4-[5-(1,3-benzothiazol-2-ylimino)-3-methyl-2-pyrazolin-1-yl]-2,5-dichloro-besylate Formula: C17H11Cl2N4O3S2- MolecularWeight: 454.33024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=NC2=NC3=CC=CC=C3S2)C1)C4=CC(=C(C=C4Cl)S(=O)(=O)[O-])Cl

Isomeric SMILES

CC1=NN(C(=NC2=NC3=CC=CC=C3S2)C1)C4=CC(=C(C=C4Cl)S(=O)(=O)[O-])Cl

InChI

InChI=1S/C17H12Cl2N4O3S2/c1-9-6-16(21-17-20-12-4-2-3-5-14(12)27-17)23(22-9)13-7-11(19)15(8-10(13)18)28(24,25)26/h2-5,7-8H,6H2,1H3,(H,24,25,26)/p-1