5-phenyl-2-[(thiophen-2-ylmethylamino)methylidene]cyclohexane-1,3-dione

Systemtic Name: 5-phenyl-2-[(thiophen-2-ylmethylamino)methylidene]cyclohexane-1,3-dione Openeye Name: 5-phenyl-2-[(2-thienylmethylamino)methylene]cyclohexane-1,3-dione CAS Name: 5-phenyl-2-[(thiophen-2-ylmethylamino)methylidene]cyclohexane-1,3-dione IUPAC Name: 5-phenyl-2-[(thiophen-2-ylmethylamino)methylidene]cyclohexane-1,3-dione Traditional Name: 5-phenyl-2-[(2-thenylamino)methylene]cyclohexane-1,3-quinone Formula: C18H17NO2S MolecularWeight: 311.39808

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C(=CNCC2=CC=CS2)C1=O)C3=CC=CC=C3

Isomeric SMILES

C1C(CC(=O)C(=CNCC2=CC=CS2)C1=O)C3=CC=CC=C3

InChI

InChI=1S/C18H17NO2S/c20-17-9-14(13-5-2-1-3-6-13)10-18(21)16(17)12-19-11-15-7-4-8-22-15/h1-8,12,14,19H,9-11H2