2-azanyl-4-(4-chlorophenyl)-6-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-(4-chlorophenyl)-6-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-(4-chlorophenyl)-6-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-(4-chlorophenyl)-6-[[2-(4-chlorophenyl)-2-oxoethyl]thio]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(4-chlorophenyl)-6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-(4-chlorophenyl)-6-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]pyridin-1-ium-3,5-dicarbonitrile Formula: C21H13Cl2N4OS+ MolecularWeight: 440.32512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C(=[NH+]C(=C2C#N)SCC(=O)C3=CC=C(C=C3)Cl)N)C#N)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=C(C(=[NH+]C(=C2C#N)SCC(=O)C3=CC=C(C=C3)Cl)N)C#N)Cl

InChI

InChI=1S/C21H12Cl2N4OS/c22-14-5-1-12(2-6-14)18(28)11-29-21-17(10-25)19(16(9-24)20(26)27-21)13-3-7-15(23)8-4-13/h1-8H,11H2,(H2,26,27)/p+1