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

Systemtic Name: 2-(cyanomethylsulfanyl)-6-methyl-4-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Openeye Name: 2-(cyanomethylsulfanyl)-6-methyl-4-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile CAS Name: 2-(cyanomethylthio)-6-methyl-4-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile IUPAC Name: 2-(cyanomethylsulfanyl)-6-methyl-4-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Traditional Name: 2-(cyanomethylthio)-6-methyl-4-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Formula: C18H17N4S+ MolecularWeight: 321.41938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4S/c1-22-9-7-16-15(12-22)17(13-5-3-2-4-6-13)14(11-20)18(21-16)23-10-8-19/h2-6H,7,9-10,12H2,1H3/p+1