2-[(4E)-4-[(1,3-dimethylpyrazol-4-yl)methylidene]-1-ethyl-5-oxidanylidene-imidazol-2-yl]sulfanyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[(4E)-4-[(1,3-dimethylpyrazol-4-yl)methylidene]-1-ethyl-5-oxidanylidene-imidazol-2-yl]sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[(4E)-4-[(1,3-dimethylpyrazol-4-yl)methylene]-1-ethyl-5-oxo-imidazol-2-yl]sulfanyl-acetamide CAS Name: 2-[[(4E)-4-[(1,3-dimethyl-4-pyrazolyl)methylidene]-1-ethyl-5-oxo-2-imidazolyl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[(4E)-4-[(1,3-dimethylpyrazol-4-yl)methylidene]-1-ethyl-5-oxoimidazol-2-yl]sulfanylacetamide Traditional Name: N-benzyl-2-[[(4E)-4-[(1,3-dimethylpyrazol-4-yl)methylene]-1-ethyl-5-keto-2-imidazolin-2-yl]thio]acetamide Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC2=CN(N=C2C)C)N=C1SCC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCN1C(=O)/C(=C\C2=CN(N=C2C)C)/N=C1SCC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C20H23N5O2S/c1-4-25-19(27)17(10-16-12-24(3)23-14(16)2)22-20(25)28-13-18(26)21-11-15-8-6-5-7-9-15/h5-10,12H,4,11,13H2,1-3H3,(H,21,26)/b17-10+