2-[(3-cyano-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)sulfanyl]-N-phenyl-ethanamide

Systemtic Name: 2-[(3-cyano-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[3-cyano-6-methyl-4-(2-thienyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[(3-cyano-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)thio]-N-phenylacetamide IUPAC Name: 2-[(3-cyano-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)sulfanyl]-N-phenylacetamide Traditional Name: 2-[[3-cyano-6-methyl-4-(2-thienyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl]thio]-N-phenyl-acetamide Formula: C22H21N4OS2+ MolecularWeight: 421.55834

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2=C(C1)C(=C(C(=N2)SCC(=O)NC3=CC=CC=C3)C#N)C4=CC=CS4

Isomeric SMILES

C[NH+]1CCC2=C(C1)C(=C(C(=N2)SCC(=O)NC3=CC=CC=C3)C#N)C4=CC=CS4

InChI

InChI=1S/C22H20N4OS2/c1-26-10-9-18-17(13-26)21(19-8-5-11-28-19)16(12-23)22(25-18)29-14-20(27)24-15-6-3-2-4-7-15/h2-8,11H,9-10,13-14H2,1H3,(H,24,27)/p+1