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

Systemtic Name: ethyl 2-[(4E)-4-[(1-methylpyrazol-4-yl)methylidene]-5-oxidanylidene-1-phenyl-imidazol-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[(4E)-4-[(1-methylpyrazol-4-yl)methylene]-5-oxo-1-phenyl-imidazol-2-yl]sulfanylacetate CAS Name: 2-[[(4E)-4-[(1-methyl-4-pyrazolyl)methylidene]-5-oxo-1-phenyl-2-imidazolyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(4E)-4-[(1-methylpyrazol-4-yl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanylacetate Traditional Name: 2-[[(4E)-5-keto-4-[(1-methylpyrazol-4-yl)methylene]-1-phenyl-2-imidazolin-2-yl]thio]acetic acid ethyl ester Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=CC2=CN(N=C2)C)C(=O)N1C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CSC1=N/C(=C/C2=CN(N=C2)C)/C(=O)N1C3=CC=CC=C3

InChI

InChI=1S/C18H18N4O3S/c1-3-25-16(23)12-26-18-20-15(9-13-10-19-21(2)11-13)17(24)22(18)14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3/b15-9+