ethyl 3-[[2-[2-(3-pyridin-4-ylpyrazol-1-yl)ethanoyl]pyrazolidin-1-yl]carbothioylamino]propanoate

Systemtic Name: ethyl 3-[[2-[2-(3-pyridin-4-ylpyrazol-1-yl)ethanoyl]pyrazolidin-1-yl]carbothioylamino]propanoate Openeye Name: ethyl 3-[[2-[2-[3-(4-pyridyl)pyrazol-1-yl]acetyl]pyrazolidine-1-carbothioyl]amino]propanoate CAS Name: 3-[[[2-[1-oxo-2-(3-pyridin-4-yl-1-pyrazolyl)ethyl]-1-pyrazolidinyl]-sulfanylidenemethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[2-(3-pyridin-4-ylpyrazol-1-yl)acetyl]pyrazolidine-1-carbothioyl]amino]propanoate Traditional Name: 3-[[2-[2-[3-(4-pyridyl)pyrazol-1-yl]acetyl]pyrazolidine-1-carbothioyl]amino]propionic acid ethyl ester Formula: C19H24N6O3S MolecularWeight: 416.49726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=S)N1CCCN1C(=O)CN2C=CC(=N2)C3=CC=NC=C3

Isomeric SMILES

CCOC(=O)CCNC(=S)N1CCCN1C(=O)CN2C=CC(=N2)C3=CC=NC=C3

InChI

InChI=1S/C19H24N6O3S/c1-2-28-18(27)6-10-21-19(29)25-12-3-11-24(25)17(26)14-23-13-7-16(22-23)15-4-8-20-9-5-15/h4-5,7-9,13H,2-3,6,10-12,14H2,1H3,(H,21,29)