(2E)-4,4-dimethyl-3-oxidanylidene-2-[(5-phenylthiophen-2-yl)methylidene]pentanenitrile

Systemtic Name: (2E)-4,4-dimethyl-3-oxidanylidene-2-[(5-phenylthiophen-2-yl)methylidene]pentanenitrile Openeye Name: (2E)-4,4-dimethyl-3-oxo-2-[(5-phenyl-2-thienyl)methylene]pentanenitrile CAS Name: (2E)-4,4-dimethyl-3-oxo-2-[(5-phenyl-2-thiophenyl)methylidene]pentanenitrile IUPAC Name: (2E)-4,4-dimethyl-3-oxo-2-[(5-phenylthiophen-2-yl)methylidene]pentanenitrile Traditional Name: (E)-3-(5-phenyl-2-thienyl)-2-pivaloyl-acrylonitrile Formula: C18H17NOS MolecularWeight: 295.39868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=CC1=CC=C(S1)C2=CC=CC=C2)C#N

Isomeric SMILES

CC(C)(C)C(=O)/C(=C/C1=CC=C(S1)C2=CC=CC=C2)/C#N

InChI

InChI=1S/C18H17NOS/c1-18(2,3)17(20)14(12-19)11-15-9-10-16(21-15)13-7-5-4-6-8-13/h4-11H,1-3H3/b14-11+