2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile

Systemtic Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Openeye Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-4-(2-thienyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile CAS Name: 2-[(3-methoxyphenyl)methylthio]-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile IUPAC Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Traditional Name: 2-(m-anisylthio)-6-methyl-4-(2-thienyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Formula: C22H22N3OS2+ MolecularWeight: 408.55958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3OS2/c1-25-9-8-19-18(13-25)21(20-7-4-10-27-20)17(12-23)22(24-19)28-14-15-5-3-6-16(11-15)26-2/h3-7,10-11H,8-9,13-14H2,1-2H3/p+1