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

Systemtic Name: 4-[(4E)-3-methyl-5-oxidanylidene-4-(thiophen-2-ylmethylidene)pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4E)-3-methyl-5-oxo-4-(2-thienylmethylene)pyrazol-1-yl]benzoic acid CAS Name: 4-[(4E)-3-methyl-5-oxo-4-(thiophen-2-ylmethylidene)-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4E)-3-methyl-5-oxo-4-(thiophen-2-ylmethylidene)pyrazol-1-yl]benzoic acid Traditional Name: 4-[(4E)-5-keto-3-methyl-4-(2-thenylidene)-2-pyrazolin-1-yl]benzoic acid Formula: C16H12N2O3S MolecularWeight: 312.34308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N2O3S/c1-10-14(9-13-3-2-8-22-13)15(19)18(17-10)12-6-4-11(5-7-12)16(20)21/h2-9H,1H3,(H,20,21)/b14-9+