2-azanyl-6-[(3,4-dichlorophenyl)methylsulfanyl]-4-phenyl-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-[(3,4-dichlorophenyl)methylsulfanyl]-4-phenyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[(3,4-dichlorophenyl)methylsulfanyl]-4-phenyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[(3,4-dichlorophenyl)methylthio]-4-phenylpyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[(3,4-dichlorophenyl)methylsulfanyl]-4-phenylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[(3,4-dichlorobenzyl)thio]-4-phenyl-pyridin-1-ium-3,5-dicarbonitrile Formula: C20H13Cl2N4S+ MolecularWeight: 412.31502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)SCC3=CC(=C(C=C3)Cl)Cl)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)SCC3=CC(=C(C=C3)Cl)Cl)N)C#N

InChI

InChI=1S/C20H12Cl2N4S/c21-16-7-6-12(8-17(16)22)11-27-20-15(10-24)18(13-4-2-1-3-5-13)14(9-23)19(25)26-20/h1-8H,11H2,(H2,25,26)/p+1