6-methyl-2-(pyridin-3-ylmethylsulfanyl)-4-thiophen-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile

Systemtic Name: 6-methyl-2-(pyridin-3-ylmethylsulfanyl)-4-thiophen-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Openeye Name: 6-methyl-2-(3-pyridylmethylsulfanyl)-4-(2-thienyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile CAS Name: 6-methyl-2-(3-pyridinylmethylthio)-4-thiophen-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile IUPAC Name: 6-methyl-2-(pyridin-3-ylmethylsulfanyl)-4-thiophen-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Traditional Name: 6-methyl-2-(3-pyridylmethylthio)-4-(2-thienyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Formula: C20H19N4S2+ MolecularWeight: 379.52166

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2=C(C1)C(=C(C(=N2)SCC3=CN=CC=C3)C#N)C4=CC=CS4

Isomeric SMILES

C[NH+]1CCC2=C(C1)C(=C(C(=N2)SCC3=CN=CC=C3)C#N)C4=CC=CS4

InChI

InChI=1S/C20H18N4S2/c1-24-8-6-17-16(12-24)19(18-5-3-9-25-18)15(10-21)20(23-17)26-13-14-4-2-7-22-11-14/h2-5,7,9,11H,6,8,12-13H2,1H3/p+1