ethyl 5-[(E)-(3-ethoxycarbonyl-2-oxidanylidene-imidazolidin-1-yl)methylideneamino]-3-methylsulfanyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[(E)-(3-ethoxycarbonyl-2-oxidanylidene-imidazolidin-1-yl)methylideneamino]-3-methylsulfanyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[(E)-(3-ethoxycarbonyl-2-oxo-imidazolidin-1-yl)methyleneamino]-3-methylsulfanyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[(E)-(3-ethoxycarbonyl-2-oxo-1-imidazolidinyl)methylideneamino]-3-(methylthio)-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(E)-(3-ethoxycarbonyl-2-oxoimidazolidin-1-yl)methylideneamino]-3-methylsulfanyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[(E)-(3-carbethoxy-2-keto-imidazolidin-1-yl)methyleneamino]-3-(methylthio)-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C20H23N5O5S MolecularWeight: 445.49212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1SC)C2=CC=CC=C2)N=CN3CCN(C3=O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1SC)C2=CC=CC=C2)/N=C/N3CCN(C3=O)C(=O)OCC

InChI

InChI=1S/C20H23N5O5S/c1-4-29-18(26)15-16(25(22-17(15)31-3)14-9-7-6-8-10-14)21-13-23-11-12-24(19(23)27)20(28)30-5-2/h6-10,13H,4-5,11-12H2,1-3H3/b21-13+