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

Systemtic Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-4-thiophen-3-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Openeye Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-4-(3-thienyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile CAS Name: 2-[(3-methoxyphenyl)methylthio]-6-methyl-4-(3-thiophenyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile IUPAC Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-4-thiophen-3-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Traditional Name: 2-(m-anisylthio)-6-methyl-4-(3-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=CSC=C4

Isomeric SMILES

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

InChI

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