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

Systemtic Name: 2-chloranyl-5-[(4Z)-3-methyl-4-[(4-methylsulfanylphenyl)methylidene]-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 2-chloro-5-[(4Z)-3-methyl-4-[(4-methylsulfanylphenyl)methylene]-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 2-chloro-5-[(4Z)-3-methyl-4-[[4-(methylthio)phenyl]methylidene]-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 2-chloro-5-[(4Z)-3-methyl-4-[(4-methylsulfanylphenyl)methylidene]-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 2-chloro-5-[(4Z)-5-keto-3-methyl-4-[4-(methylthio)benzylidene]-2-pyrazolin-1-yl]benzoic acid Formula: C19H15ClN2O3S MolecularWeight: 386.852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(C=C2)SC)C3=CC(=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC=C(C=C2)SC)C3=CC(=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C19H15ClN2O3S/c1-11-15(9-12-3-6-14(26-2)7-4-12)18(23)22(21-11)13-5-8-17(20)16(10-13)19(24)25/h3-10H,1-2H3,(H,24,25)/b15-9-