2-[3-(3-imidazol-1-ylpropyl)-4-oxidanylidene-1,3-thiazolidin-2-yl]-2-phenyl-ethanenitrile

Systemtic Name: 2-[3-(3-imidazol-1-ylpropyl)-4-oxidanylidene-1,3-thiazolidin-2-yl]-2-phenyl-ethanenitrile Openeye Name: 2-[3-(3-imidazol-1-ylpropyl)-4-oxo-thiazolidin-2-yl]-2-phenyl-acetonitrile CAS Name: 2-[3-[3-(1-imidazolyl)propyl]-4-oxo-2-thiazolidinyl]-2-phenylacetonitrile IUPAC Name: 2-[3-(3-imidazol-1-ylpropyl)-4-oxo-1,3-thiazolidin-2-yl]-2-phenylacetonitrile Traditional Name: 2-[3-(3-imidazol-1-ylpropyl)-4-keto-thiazolidin-2-yl]-2-phenyl-acetonitrile Formula: C17H18N4OS MolecularWeight: 326.41602

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C(S1)C(C#N)C2=CC=CC=C2)CCCN3C=CN=C3

Isomeric SMILES

C1C(=O)N(C(S1)C(C#N)C2=CC=CC=C2)CCCN3C=CN=C3

InChI

InChI=1S/C17H18N4OS/c18-11-15(14-5-2-1-3-6-14)17-21(16(22)12-23-17)9-4-8-20-10-7-19-13-20/h1-3,5-7,10,13,15,17H,4,8-9,12H2