(4-oxidanylidene-4-thiophen-2-yl-butyl) 2,5-diphenylpyrazole-3-carboxylate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 2,5-diphenylpyrazole-3-carboxylate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 2,5-diphenylpyrazole-3-carboxylate CAS Name: 2,5-diphenyl-3-pyrazolecarboxylic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 2,5-diphenylpyrazole-3-carboxylate Traditional Name: 2,5-diphenylpyrazole-3-carboxylic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C24H20N2O3S MolecularWeight: 416.4922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=C2)C(=O)OCCCC(=O)C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=C2)C(=O)OCCCC(=O)C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C24H20N2O3S/c27-22(23-14-8-16-30-23)13-7-15-29-24(28)21-17-20(18-9-3-1-4-10-18)25-26(21)19-11-5-2-6-12-19/h1-6,8-12,14,16-17H,7,13,15H2