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

Systemtic Name: 4,6-bis(azanyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]pyridin-1-ium-3-carbonitrile Openeye Name: 4,6-diamino-2-[(3,4-dichlorophenyl)methylsulfanyl]pyridin-1-ium-3-carbonitrile CAS Name: 4,6-diamino-2-[(3,4-dichlorophenyl)methylthio]-3-pyridin-1-iumcarbonitrile IUPAC Name: 4,6-diamino-2-[(3,4-dichlorophenyl)methylsulfanyl]pyridin-1-ium-3-carbonitrile Traditional Name: 4,6-diamino-2-[(3,4-dichlorobenzyl)thio]pyridin-1-ium-3-carbonitrile Formula: C13H11Cl2N4S+ MolecularWeight: 326.22424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CSC2=C(C(=CC(=[NH+]2)N)N)C#N)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1CSC2=C(C(=CC(=[NH+]2)N)N)C#N)Cl)Cl

InChI

InChI=1S/C13H10Cl2N4S/c14-9-2-1-7(3-10(9)15)6-20-13-8(5-16)11(17)4-12(18)19-13/h1-4H,6H2,(H4,17,18,19)/p+1