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

Systemtic Name: 3-[(4E)-5-oxidanylidene-3-propyl-4-(thiophen-2-ylmethylidene)pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4E)-5-oxo-3-propyl-4-(2-thienylmethylene)pyrazol-1-yl]benzoic acid CAS Name: 3-[(4E)-5-oxo-3-propyl-4-(thiophen-2-ylmethylidene)-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4E)-5-oxo-3-propyl-4-(thiophen-2-ylmethylidene)pyrazol-1-yl]benzoic acid Traditional Name: 3-[(4E)-5-keto-3-propyl-4-(2-thenylidene)-2-pyrazolin-1-yl]benzoic acid Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CC2=CC=CS2)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O3S/c1-2-5-16-15(11-14-8-4-9-24-14)17(21)20(19-16)13-7-3-6-12(10-13)18(22)23/h3-4,6-11H,2,5H2,1H3,(H,22,23)/b15-11+