ethyl 5-[2-(4-methylquinolin-2-yl)sulfanylbutanoylamino]-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[2-(4-methylquinolin-2-yl)sulfanylbutanoylamino]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[2-[(4-methyl-2-quinolyl)sulfanyl]butanoylamino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[2-[(4-methyl-2-quinolinyl)thio]-1-oxobutyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(4-methylquinolin-2-yl)sulfanylbutanoylamino]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[2-[(4-methyl-2-quinolyl)thio]butanoylamino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C26H26N4O3S MolecularWeight: 474.57464

Click to see the large picture

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)C

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4O3S/c1-4-22(34-23-15-17(3)19-13-9-10-14-21(19)28-23)25(31)29-24-20(26(32)33-5-2)16-27-30(24)18-11-7-6-8-12-18/h6-16,22H,4-5H2,1-3H3,(H,29,31)