methyl 2-[[2-(5-methyl-1-phenyl-pyrazol-4-yl)carbonylpyrazolidin-1-yl]carbothioylamino]ethanoate

Systemtic Name: methyl 2-[[2-(5-methyl-1-phenyl-pyrazol-4-yl)carbonylpyrazolidin-1-yl]carbothioylamino]ethanoate Openeye Name: methyl 2-[[2-(5-methyl-1-phenyl-pyrazole-4-carbonyl)pyrazolidine-1-carbothioyl]amino]acetate CAS Name: 2-[[[2-[(5-methyl-1-phenyl-4-pyrazolyl)-oxomethyl]-1-pyrazolidinyl]-sulfanylidenemethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidine-1-carbothioyl]amino]acetate Traditional Name: 2-[[2-(5-methyl-1-phenyl-pyrazole-4-carbonyl)pyrazolidine-1-carbothioyl]amino]acetic acid methyl ester Formula: C18H21N5O3S MolecularWeight: 387.45604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCCN3C(=S)NCC(=O)OC

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCCN3C(=S)NCC(=O)OC

InChI

InChI=1S/C18H21N5O3S/c1-13-15(11-20-23(13)14-7-4-3-5-8-14)17(25)21-9-6-10-22(21)18(27)19-12-16(24)26-2/h3-5,7-8,11H,6,9-10,12H2,1-2H3,(H,19,27)