ethyl 1-phenyl-5-[2-(6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-phenyl-5-[2-(6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]pyrazole-4-carboxylate Openeye Name: ethyl 1-phenyl-5-[2-(6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]pyrazole-4-carboxylate CAS Name: 5-[[1-oxo-2-[(6-phenyl-4-pyrimidinyl)thio]butyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-phenyl-5-[2-(6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]pyrazole-4-carboxylate Traditional Name: 1-phenyl-5-[2-[(6-phenylpyrimidin-4-yl)thio]butanoylamino]pyrazole-4-carboxylic acid ethyl ester Formula: C26H25N5O3S MolecularWeight: 487.5734

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=NC=NC(=C3)C4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC)SC3=NC=NC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H25N5O3S/c1-3-22(35-23-15-21(27-17-28-23)18-11-7-5-8-12-18)25(32)30-24-20(26(33)34-4-2)16-29-31(24)19-13-9-6-10-14-19/h5-17,22H,3-4H2,1-2H3,(H,30,32)