ethyl 1-[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]pyrazole-3-carboxylate

Systemtic Name: ethyl 1-[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]pyrazole-3-carboxylate Openeye Name: ethyl 1-[3-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]phenyl]pyrazole-3-carboxylate CAS Name: 1-[3-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]phenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]phenyl]pyrazole-3-carboxylate Traditional Name: 1-[3-[[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]amino]phenyl]pyrazole-3-carboxylic acid ethyl ester Formula: C20H21N5O3S MolecularWeight: 411.47744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C=C1)C2=CC(=CC=C2)NC(=O)CSC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCOC(=O)C1=NN(C=C1)C2=CC(=CC=C2)NC(=O)CSC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C20H21N5O3S/c1-4-28-19(27)17-8-9-25(24-17)16-7-5-6-15(11-16)23-18(26)12-29-20-21-13(2)10-14(3)22-20/h5-11H,4,12H2,1-3H3,(H,23,26)