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

Systemtic Name: 6-methyl-4-phenyl-2-(phenylmethylsulfanyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Openeye Name: 2-benzylsulfanyl-6-methyl-4-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile CAS Name: 6-methyl-4-phenyl-2-(phenylmethylthio)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile IUPAC Name: 2-benzylsulfanyl-6-methyl-4-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Traditional Name: 2-(benzylthio)-6-methyl-4-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Formula: C23H22N3S+ MolecularWeight: 372.50588

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2=C(C1)C(=C(C(=N2)SCC3=CC=CC=C3)C#N)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCC2=C(C1)C(=C(C(=N2)SCC3=CC=CC=C3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C23H21N3S/c1-26-13-12-21-20(15-26)22(18-10-6-3-7-11-18)19(14-24)23(25-21)27-16-17-8-4-2-5-9-17/h2-11H,12-13,15-16H2,1H3/p+1