3-[4-[(5Z)-4-oxidanylidene-5-[(2-phenylmethoxyphenyl)methylidene]-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]propanenitrile

Systemtic Name: 3-[4-[(5Z)-4-oxidanylidene-5-[(2-phenylmethoxyphenyl)methylidene]-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]propanenitrile Openeye Name: 3-[4-[(5Z)-5-[(2-benzyloxyphenyl)methylene]-4-oxo-thiazol-2-yl]piperazin-1-ium-1-yl]propanenitrile CAS Name: 3-[4-[(5Z)-4-oxo-5-[(2-phenylmethoxyphenyl)methylidene]-2-thiazolyl]-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-[4-[(5Z)-4-oxo-5-[(2-phenylmethoxyphenyl)methylidene]-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]propanenitrile Traditional Name: 3-[4-[(5Z)-5-(2-benzoxybenzylidene)-4-keto-2-thiazolin-2-yl]piperazin-1-ium-1-yl]propionitrile Formula: C24H25N4O2S+ MolecularWeight: 433.5459

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC#N)C2=NC(=O)C(=CC3=CC=CC=C3OCC4=CC=CC=C4)S2

Isomeric SMILES

C1CN(CC[NH+]1CCC#N)C2=NC(=O)/C(=C/C3=CC=CC=C3OCC4=CC=CC=C4)/S2

InChI

InChI=1S/C24H24N4O2S/c25-11-6-12-27-13-15-28(16-14-27)24-26-23(29)22(31-24)17-20-9-4-5-10-21(20)30-18-19-7-2-1-3-8-19/h1-5,7-10,17H,6,12-16,18H2/p+1/b22-17-