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

Systemtic Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Openeye Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-6-methyl-4-(2-thienyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile CAS Name: 2-[(3,4-dichlorophenyl)methylthio]-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile IUPAC Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Traditional Name: 2-[(3,4-dichlorobenzyl)thio]-6-methyl-4-(2-thienyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Formula: C21H18Cl2N3S2+ MolecularWeight: 447.42372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17Cl2N3S2/c1-26-7-6-18-15(11-26)20(19-3-2-8-27-19)14(10-24)21(25-18)28-12-13-4-5-16(22)17(23)9-13/h2-5,8-9H,6-7,11-12H2,1H3/p+1