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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N6O3S/c1-2-28-18(27)6-9-21-19(29)25-11-4-10-24(25)17(26)14-23-12-7-16(22-23)15-5-3-8-20-13-15/h3,5,7-8,12-13H,2,4,6,9-11,14H2,1H3,(H,21,29)