ethyl 3-[(E)-(4-cyano-5-methylsulfanyl-2-phenyl-pyrazol-3-yl)iminomethyl]-2-oxidanylidene-imidazolidine-1-carboxylate

Systemtic Name: ethyl 3-[(E)-(4-cyano-5-methylsulfanyl-2-phenyl-pyrazol-3-yl)iminomethyl]-2-oxidanylidene-imidazolidine-1-carboxylate Openeye Name: ethyl 3-[(E)-(4-cyano-5-methylsulfanyl-2-phenyl-pyrazol-3-yl)iminomethyl]-2-oxo-imidazolidine-1-carboxylate CAS Name: 3-[(E)-[4-cyano-5-(methylthio)-2-phenyl-3-pyrazolyl]iminomethyl]-2-oxo-1-imidazolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(E)-(4-cyano-5-methylsulfanyl-2-phenylpyrazol-3-yl)iminomethyl]-2-oxoimidazolidine-1-carboxylate Traditional Name: 3-[(E)-[4-cyano-5-(methylthio)-2-phenyl-pyrazol-3-yl]iminomethyl]-2-keto-imidazolidine-1-carboxylic acid ethyl ester Formula: C18H18N6O3S MolecularWeight: 398.43892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(C1=O)C=NC2=C(C(=NN2C3=CC=CC=C3)SC)C#N

Isomeric SMILES

CCOC(=O)N1CCN(C1=O)/C=N/C2=C(C(=NN2C3=CC=CC=C3)SC)C#N

InChI

InChI=1S/C18H18N6O3S/c1-3-27-18(26)23-10-9-22(17(23)25)12-20-15-14(11-19)16(28-2)21-24(15)13-7-5-4-6-8-13/h4-8,12H,3,9-10H2,1-2H3/b20-12+