ethyl 3-[[2-(5-methyl-1-phenyl-pyrazol-4-yl)carbonylpyrazolidin-1-yl]carbothioylamino]propanoate

Systemtic Name: ethyl 3-[[2-(5-methyl-1-phenyl-pyrazol-4-yl)carbonylpyrazolidin-1-yl]carbothioylamino]propanoate Openeye Name: ethyl 3-[[2-(5-methyl-1-phenyl-pyrazole-4-carbonyl)pyrazolidine-1-carbothioyl]amino]propanoate CAS Name: 3-[[[2-[(5-methyl-1-phenyl-4-pyrazolyl)-oxomethyl]-1-pyrazolidinyl]-sulfanylidenemethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidine-1-carbothioyl]amino]propanoate Traditional Name: 3-[[2-(5-methyl-1-phenyl-pyrazole-4-carbonyl)pyrazolidine-1-carbothioyl]amino]propionic acid ethyl ester Formula: C20H25N5O3S MolecularWeight: 415.5092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=S)N1CCCN1C(=O)C2=C(N(N=C2)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)CCNC(=S)N1CCCN1C(=O)C2=C(N(N=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C20H25N5O3S/c1-3-28-18(26)10-11-21-20(29)24-13-7-12-23(24)19(27)17-14-22-25(15(17)2)16-8-5-4-6-9-16/h4-6,8-9,14H,3,7,10-13H2,1-2H3,(H,21,29)