2-[6-azanyl-3,5-dicyano-4-(3-hydroxyphenyl)pyridin-1-ium-2-yl]sulfanyl-N-(4-bromophenyl)ethanamide

Systemtic Name: 2-[6-azanyl-3,5-dicyano-4-(3-hydroxyphenyl)pyridin-1-ium-2-yl]sulfanyl-N-(4-bromophenyl)ethanamide Openeye Name: 2-[6-amino-3,5-dicyano-4-(3-hydroxyphenyl)pyridin-1-ium-2-yl]sulfanyl-N-(4-bromophenyl)acetamide CAS Name: 2-[[6-amino-3,5-dicyano-4-(3-hydroxyphenyl)-2-pyridin-1-iumyl]thio]-N-(4-bromophenyl)acetamide IUPAC Name: 2-[6-amino-3,5-dicyano-4-(3-hydroxyphenyl)pyridin-1-ium-2-yl]sulfanyl-N-(4-bromophenyl)acetamide Traditional Name: 2-[[6-amino-3,5-dicyano-4-(3-hydroxyphenyl)pyridin-1-ium-2-yl]thio]-N-(4-bromophenyl)acetamide Formula: C21H15BrN5O2S+ MolecularWeight: 481.3451

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)O)C2=C(C(=[NH+]C(=C2C#N)SCC(=O)NC3=CC=C(C=C3)Br)N)C#N

Isomeric SMILES

C1=CC(=CC(=C1)O)C2=C(C(=[NH+]C(=C2C#N)SCC(=O)NC3=CC=C(C=C3)Br)N)C#N

InChI

InChI=1S/C21H14BrN5O2S/c22-13-4-6-14(7-5-13)26-18(29)11-30-21-17(10-24)19(16(9-23)20(25)27-21)12-2-1-3-15(28)8-12/h1-8,28H,11H2,(H2,25,27)(H,26,29)/p+1