6-methyl-2-(2-oxidanylidenepropylsulfanyl)-4-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile

Systemtic Name: 6-methyl-2-(2-oxidanylidenepropylsulfanyl)-4-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Openeye Name: 2-acetonylsulfanyl-6-methyl-4-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile CAS Name: 6-methyl-2-(2-oxopropylthio)-4-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile IUPAC Name: 6-methyl-2-(2-oxopropylsulfanyl)-4-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Traditional Name: 2-(acetonylthio)-6-methyl-4-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Formula: C19H20N3OS+ MolecularWeight: 338.4466

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC2=C(C[NH+](CC2)C)C(=C1C#N)C3=CC=CC=C3

Isomeric SMILES

CC(=O)CSC1=NC2=C(C[NH+](CC2)C)C(=C1C#N)C3=CC=CC=C3

InChI

InChI=1S/C19H19N3OS/c1-13(23)12-24-19-15(10-20)18(14-6-4-3-5-7-14)16-11-22(2)9-8-17(16)21-19/h3-7H,8-9,11-12H2,1-2H3/p+1