2-[(3-cyano-6-methyl-4-thiophen-3-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-3-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-(3-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-(3-thiophenyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl]thio]-N-phenylacetamide IUPAC Name: 2-[(3-cyano-6-methyl-4-thiophen-3-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-2-yl)sulfanyl]-N-phenylacetamide Traditional Name: 2-[[3-cyano-6-methyl-4-(3-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=CSC=C4

Isomeric SMILES

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

InChI

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