2-chloranyl-5-[(4E)-3-methyl-4-[(3-methylthiophen-2-yl)methylidene]-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 2-chloranyl-5-[(4E)-3-methyl-4-[(3-methylthiophen-2-yl)methylidene]-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 2-chloro-5-[(4E)-3-methyl-4-[(3-methyl-2-thienyl)methylene]-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 2-chloro-5-[(4E)-3-methyl-4-[(3-methyl-2-thiophenyl)methylidene]-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 2-chloro-5-[(4E)-3-methyl-4-[(3-methylthiophen-2-yl)methylidene]-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 2-chloro-5-[(4E)-5-keto-3-methyl-4-[(3-methyl-2-thienyl)methylene]-2-pyrazolin-1-yl]benzoic acid Formula: C17H13ClN2O3S MolecularWeight: 360.81472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C=C2C(=NN(C2=O)C3=CC(=C(C=C3)Cl)C(=O)O)C

Isomeric SMILES

CC1=C(SC=C1)/C=C/2\C(=NN(C2=O)C3=CC(=C(C=C3)Cl)C(=O)O)C

InChI

InChI=1S/C17H13ClN2O3S/c1-9-5-6-24-15(9)8-12-10(2)19-20(16(12)21)11-3-4-14(18)13(7-11)17(22)23/h3-8H,1-2H3,(H,22,23)/b12-8+