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

Systemtic Name: 2-chloranyl-5-[(4Z)-3-methyl-5-oxidanylidene-4-(thiophen-2-ylmethylidene)pyrazol-1-yl]benzoic acid Openeye Name: 2-chloro-5-[(4Z)-3-methyl-5-oxo-4-(2-thienylmethylene)pyrazol-1-yl]benzoic acid CAS Name: 2-chloro-5-[(4Z)-3-methyl-5-oxo-4-(thiophen-2-ylmethylidene)-1-pyrazolyl]benzoic acid IUPAC Name: 2-chloro-5-[(4Z)-3-methyl-5-oxo-4-(thiophen-2-ylmethylidene)pyrazol-1-yl]benzoic acid Traditional Name: 2-chloro-5-[(4Z)-5-keto-3-methyl-4-(2-thenylidene)-2-pyrazolin-1-yl]benzoic acid Formula: C16H11ClN2O3S MolecularWeight: 346.78814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=CS2)C3=CC(=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC=CS2)C3=CC(=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C16H11ClN2O3S/c1-9-12(8-11-3-2-6-23-11)15(20)19(18-9)10-4-5-14(17)13(7-10)16(21)22/h2-8H,1H3,(H,21,22)/b12-8-