2-[[2-(1H-imidazol-5-yl)ethylamino]methylidene]-5-thiophen-2-yl-cyclohexane-1,3-dione

Systemtic Name: 2-[[2-(1H-imidazol-5-yl)ethylamino]methylidene]-5-thiophen-2-yl-cyclohexane-1,3-dione Openeye Name: 2-[[2-(1H-imidazol-5-yl)ethylamino]methylene]-5-(2-thienyl)cyclohexane-1,3-dione CAS Name: 2-[[2-(1H-imidazol-5-yl)ethylamino]methylidene]-5-thiophen-2-ylcyclohexane-1,3-dione IUPAC Name: 2-[[2-(1H-imidazol-5-yl)ethylamino]methylidene]-5-thiophen-2-ylcyclohexane-1,3-dione Traditional Name: 2-[[2-(1H-imidazol-5-yl)ethylamino]methylene]-5-(2-thienyl)cyclohexane-1,3-quinone Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C(=CNCCC2=CN=CN2)C1=O)C3=CC=CS3

Isomeric SMILES

C1C(CC(=O)C(=CNCCC2=CN=CN2)C1=O)C3=CC=CS3

InChI

InChI=1S/C16H17N3O2S/c20-14-6-11(16-2-1-5-22-16)7-15(21)13(14)9-17-4-3-12-8-18-10-19-12/h1-2,5,8-11,17H,3-4,6-7H2,(H,18,19)