(4-butyl-5-oxidanylidene-1,2-diphenyl-pyrazol-3-yl) thiophene-2-carboxylate

Systemtic Name: (4-butyl-5-oxidanylidene-1,2-diphenyl-pyrazol-3-yl) thiophene-2-carboxylate Openeye Name: (4-butyl-5-oxo-1,2-diphenyl-pyrazol-3-yl) thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid (4-butyl-5-oxo-1,2-diphenyl-3-pyrazolyl) ester IUPAC Name: (4-butyl-5-oxo-1,2-diphenylpyrazol-3-yl) thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid (4-butyl-5-keto-1,2-diphenyl-3-pyrazolin-3-yl) ester Formula: C24H22N2O3S MolecularWeight: 418.50808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C4=CC=CS4

Isomeric SMILES

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C4=CC=CS4

InChI

InChI=1S/C24H22N2O3S/c1-2-3-15-20-22(27)25(18-11-6-4-7-12-18)26(19-13-8-5-9-14-19)23(20)29-24(28)21-16-10-17-30-21/h4-14,16-17H,2-3,15H2,1H3