N-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-1,3-thiazol-2-yl]-5-chloranyl-1,3-dimethyl-pyrazole-4-sulfonamide

Systemtic Name: N-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-1,3-thiazol-2-yl]-5-chloranyl-1,3-dimethyl-pyrazole-4-sulfonamide Openeye Name: N-[(5E)-5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-thiazol-2-yl]-5-chloro-1,3-dimethyl-pyrazole-4-sulfonamide CAS Name: N-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-thiazolyl]-5-chloro-1,3-dimethyl-4-pyrazolesulfonamide IUPAC Name: N-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-1,3-thiazol-2-yl]-5-chloro-1,3-dimethylpyrazole-4-sulfonamide Traditional Name: 5-chloro-N-[(5E)-4-keto-5-piperonylidene-2-thiazolin-2-yl]-1,3-dimethyl-pyrazole-4-sulfonamide Formula: C16H13ClN4O5S2 MolecularWeight: 440.88122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1S(=O)(=O)NC2=NC(=O)C(=CC3=CC4=C(C=C3)OCO4)S2)Cl)C

Isomeric SMILES

CC1=NN(C(=C1S(=O)(=O)NC2=NC(=O)/C(=C\C3=CC4=C(C=C3)OCO4)/S2)Cl)C

InChI

InChI=1S/C16H13ClN4O5S2/c1-8-13(14(17)21(2)19-8)28(23,24)20-16-18-15(22)12(27-16)6-9-3-4-10-11(5-9)26-7-25-10/h3-6H,7H2,1-2H3,(H,18,20,22)/b12-6+