N-(5-chloranyl-2-phenoxy-phenyl)-2-(4-thiophen-2-ylpyrimidin-1-ium-1-yl)ethanamide

Systemtic Name: N-(5-chloranyl-2-phenoxy-phenyl)-2-(4-thiophen-2-ylpyrimidin-1-ium-1-yl)ethanamide Openeye Name: N-(5-chloro-2-phenoxy-phenyl)-2-[4-(2-thienyl)pyrimidin-1-ium-1-yl]acetamide CAS Name: N-(5-chloro-2-phenoxyphenyl)-2-(4-thiophen-2-yl-1-pyrimidin-1-iumyl)acetamide IUPAC Name: N-(5-chloro-2-phenoxyphenyl)-2-(4-thiophen-2-ylpyrimidin-1-ium-1-yl)acetamide Traditional Name: N-(5-chloro-2-phenoxy-phenyl)-2-[4-(2-thienyl)pyrimidin-1-ium-1-yl]acetamide Formula: C22H17ClN3O2S+ MolecularWeight: 422.90728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)NC(=O)C[N+]3=CN=C(C=C3)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)NC(=O)C[N+]3=CN=C(C=C3)C4=CC=CS4

InChI

InChI=1S/C22H16ClN3O2S/c23-16-8-9-20(28-17-5-2-1-3-6-17)19(13-16)25-22(27)14-26-11-10-18(24-15-26)21-7-4-12-29-21/h1-13,15H,14H2/p+1