5-phenyl-2-(thiophen-2-ylmethyliminomethyl)cyclohexane-1,3-dione

Systemtic Name: 5-phenyl-2-(thiophen-2-ylmethyliminomethyl)cyclohexane-1,3-dione Openeye Name: 5-phenyl-2-(2-thienylmethyliminomethyl)cyclohexane-1,3-dione CAS Name: 5-phenyl-2-(thiophen-2-ylmethyliminomethyl)cyclohexane-1,3-dione IUPAC Name: 5-phenyl-2-(thiophen-2-ylmethyliminomethyl)cyclohexane-1,3-dione Traditional Name: 5-phenyl-2-(2-thenyliminomethyl)cyclohexane-1,3-quinone Formula: C18H17NO2S MolecularWeight: 311.39808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C(C1=O)C=NCC2=CC=CS2)C3=CC=CC=C3

Isomeric SMILES

C1C(CC(=O)C(C1=O)C=NCC2=CC=CS2)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/h1-8,12,14,16H,9-11H2