ethyl 1-phenyl-5-(2-quinolin-2-ylsulfanylbutanoylamino)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-phenyl-5-(2-quinolin-2-ylsulfanylbutanoylamino)pyrazole-4-carboxylate Openeye Name: ethyl 1-phenyl-5-[2-(2-quinolylsulfanyl)butanoylamino]pyrazole-4-carboxylate CAS Name: 5-[[1-oxo-2-(2-quinolinylthio)butyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-phenyl-5-(2-quinolin-2-ylsulfanylbutanoylamino)pyrazole-4-carboxylate Traditional Name: 1-phenyl-5-[2-(2-quinolylthio)butanoylamino]pyrazole-4-carboxylic acid ethyl ester Formula: C25H24N4O3S MolecularWeight: 460.54806

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC)SC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CCC(C(=O)NC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC)SC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H24N4O3S/c1-3-21(33-22-15-14-17-10-8-9-13-20(17)27-22)24(30)28-23-19(25(31)32-4-2)16-26-29(23)18-11-6-5-7-12-18/h5-16,21H,3-4H2,1-2H3,(H,28,30)