(4-oxidanylidene-4-thiophen-2-yl-butyl) 1,3-diphenylpyrazole-4-carboxylate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 1,3-diphenylpyrazole-4-carboxylate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 1,3-diphenylpyrazole-4-carboxylate CAS Name: 1,3-diphenyl-4-pyrazolecarboxylic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 1,3-diphenylpyrazole-4-carboxylate Traditional Name: 1,3-diphenylpyrazole-4-carboxylic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C24H20N2O3S MolecularWeight: 416.4922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C(=O)OCCCC(=O)C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2C(=O)OCCCC(=O)C3=CC=CS3)C4=CC=CC=C4

InChI

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