ethyl 2-[(4E)-1-(2-methylpropyl)-4-[(1-methylpyrazol-4-yl)methylidene]-5-oxidanylidene-imidazol-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[(4E)-1-(2-methylpropyl)-4-[(1-methylpyrazol-4-yl)methylidene]-5-oxidanylidene-imidazol-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[(4E)-1-isobutyl-4-[(1-methylpyrazol-4-yl)methylene]-5-oxo-imidazol-2-yl]sulfanylacetate CAS Name: 2-[[(4E)-1-(2-methylpropyl)-4-[(1-methyl-4-pyrazolyl)methylidene]-5-oxo-2-imidazolyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(4E)-1-(2-methylpropyl)-4-[(1-methylpyrazol-4-yl)methylidene]-5-oxoimidazol-2-yl]sulfanylacetate Traditional Name: 2-[[(4E)-1-isobutyl-5-keto-4-[(1-methylpyrazol-4-yl)methylene]-2-imidazolin-2-yl]thio]acetic acid ethyl ester Formula: C16H22N4O3S MolecularWeight: 350.43588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=CC2=CN(N=C2)C)C(=O)N1CC(C)C

Isomeric SMILES

CCOC(=O)CSC1=N/C(=C/C2=CN(N=C2)C)/C(=O)N1CC(C)C

InChI

InChI=1S/C16H22N4O3S/c1-5-23-14(21)10-24-16-18-13(6-12-7-17-19(4)9-12)15(22)20(16)8-11(2)3/h6-7,9,11H,5,8,10H2,1-4H3/b13-6+