3-[4-[(5E)-4-oxidanylidene-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-2-yl]piperazin-1-yl]propanenitrile

Systemtic Name: 3-[4-[(5E)-4-oxidanylidene-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-2-yl]piperazin-1-yl]propanenitrile Openeye Name: 3-[4-[(5E)-4-oxo-5-[(5-phenyl-2-furyl)methylene]thiazol-2-yl]piperazin-1-yl]propanenitrile CAS Name: 3-[4-[(5E)-4-oxo-5-[(5-phenyl-2-furanyl)methylidene]-2-thiazolyl]-1-piperazinyl]propanenitrile IUPAC Name: 3-[4-[(5E)-4-oxo-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazol-2-yl]piperazin-1-yl]propanenitrile Traditional Name: 3-[4-[(5E)-4-keto-5-[(5-phenyl-2-furyl)methylene]-2-thiazolin-2-yl]piperazino]propionitrile Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC#N)C2=NC(=O)C(=CC3=CC=C(O3)C4=CC=CC=C4)S2

Isomeric SMILES

C1CN(CCN1CCC#N)C2=NC(=O)/C(=C\C3=CC=C(O3)C4=CC=CC=C4)/S2

InChI

InChI=1S/C21H20N4O2S/c22-9-4-10-24-11-13-25(14-12-24)21-23-20(26)19(28-21)15-17-7-8-18(27-17)16-5-2-1-3-6-16/h1-3,5-8,15H,4,10-14H2/b19-15+