6-methyl-2-(phenylmethylsulfanyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-1,6-diium-3-carbonitrile

Systemtic Name: 6-methyl-2-(phenylmethylsulfanyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-1,6-diium-3-carbonitrile Openeye Name: 2-benzylsulfanyl-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine-1,6-diium-3-carbonitrile CAS Name: 6-methyl-2-(phenylmethylthio)-5,6,7,8-tetrahydro-1,6-naphthyridine-1,6-diium-3-carbonitrile IUPAC Name: 2-benzylsulfanyl-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine-1,6-diium-3-carbonitrile Traditional Name: 2-(benzylthio)-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine-1,6-diium-3-carbonitrile Formula: C17H19N3S+2 MolecularWeight: 297.41786

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2=C(C1)C=C(C(=[NH+]2)SCC3=CC=CC=C3)C#N

Isomeric SMILES

C[NH+]1CCC2=C(C1)C=C(C(=[NH+]2)SCC3=CC=CC=C3)C#N

InChI

InChI=1S/C17H17N3S/c1-20-8-7-16-15(11-20)9-14(10-18)17(19-16)21-12-13-5-3-2-4-6-13/h2-6,9H,7-8,11-12H2,1H3/p+2