2-[(2,4-dichlorophenyl)methylsulfanyl]-6-pyridin-1-ium-3-yl-pyridine-3-carbonitrile

Systemtic Name: 2-[(2,4-dichlorophenyl)methylsulfanyl]-6-pyridin-1-ium-3-yl-pyridine-3-carbonitrile Openeye Name: 2-[(2,4-dichlorophenyl)methylsulfanyl]-6-pyridin-1-ium-3-yl-pyridine-3-carbonitrile CAS Name: 2-[(2,4-dichlorophenyl)methylthio]-6-(3-pyridin-1-iumyl)-3-pyridinecarbonitrile IUPAC Name: 2-[(2,4-dichlorophenyl)methylsulfanyl]-6-pyridin-1-ium-3-ylpyridine-3-carbonitrile Traditional Name: 2-[(2,4-dichlorobenzyl)thio]-6-pyridin-1-ium-3-yl-nicotinonitrile Formula: C18H12Cl2N3S+ MolecularWeight: 373.27898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[NH+]=C1)C2=NC(=C(C=C2)C#N)SCC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC(=C[NH+]=C1)C2=NC(=C(C=C2)C#N)SCC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H11Cl2N3S/c19-15-5-3-14(16(20)8-15)11-24-18-12(9-21)4-6-17(23-18)13-2-1-7-22-10-13/h1-8,10H,11H2/p+1