(2Z)-4,4-dimethyl-3-oxidanylidene-2-[[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]methylidene]pentanenitrile

Systemtic Name: (2Z)-4,4-dimethyl-3-oxidanylidene-2-[[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]methylidene]pentanenitrile Openeye Name: (2Z)-2-[[1-benzyl-3-(2-thienyl)pyrazol-4-yl]methylene]-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: (2Z)-4,4-dimethyl-3-oxo-2-[[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]methylidene]pentanenitrile IUPAC Name: (2Z)-2-[(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-4,4-dimethyl-3-oxopentanenitrile Traditional Name: (Z)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]-2-pivaloyl-acrylonitrile Formula: C22H21N3OS MolecularWeight: 375.48664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=CC1=CN(N=C1C2=CC=CS2)CC3=CC=CC=C3)C#N

Isomeric SMILES

CC(C)(C)C(=O)/C(=C\C1=CN(N=C1C2=CC=CS2)CC3=CC=CC=C3)/C#N

InChI

InChI=1S/C22H21N3OS/c1-22(2,3)21(26)17(13-23)12-18-15-25(14-16-8-5-4-6-9-16)24-20(18)19-10-7-11-27-19/h4-12,15H,14H2,1-3H3/b17-12-