3-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonylamino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonylamino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonylamino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[(5-chloro-1,3-dimethyl-4-pyrazolyl)sulfonylamino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonylamino]-5-phenyl-2-thenoic acid Formula: C16H14ClN3O4S2 MolecularWeight: 411.88306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1S(=O)(=O)NC2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)Cl)C

Isomeric SMILES

CC1=NN(C(=C1S(=O)(=O)NC2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)Cl)C

InChI

InChI=1S/C16H14ClN3O4S2/c1-9-14(15(17)20(2)18-9)26(23,24)19-11-8-12(25-13(11)16(21)22)10-6-4-3-5-7-10/h3-8,19H,1-2H3,(H,21,22)