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

Systemtic Name: 2-azanyl-6-[2-(3,4-dichlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(4-hydroxyphenyl)pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[2-(3,4-dichlorophenyl)-2-oxo-ethyl]sulfanyl-4-(4-hydroxyphenyl)pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[[2-(3,4-dichlorophenyl)-2-oxoethyl]thio]-4-(4-hydroxyphenyl)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-4-(4-hydroxyphenyl)pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[2-(3,4-dichlorophenyl)-2-keto-ethyl]thio]-4-(4-hydroxyphenyl)pyridin-1-ium-3,5-dicarbonitrile Formula: C21H13Cl2N4O2S+ MolecularWeight: 456.32452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H12Cl2N4O2S/c22-16-6-3-12(7-17(16)23)18(29)10-30-21-15(9-25)19(14(8-24)20(26)27-21)11-1-4-13(28)5-2-11/h1-7,28H,10H2,(H2,26,27)/p+1