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

Systemtic Name: 2-[6-azanyl-3,5-dicyano-4-(phenylmethyl)pyridin-1-ium-2-yl]sulfanyl-N-(4-bromophenyl)ethanamide Openeye Name: 2-(6-amino-4-benzyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(4-bromophenyl)acetamide CAS Name: 2-[[6-amino-3,5-dicyano-4-(phenylmethyl)-2-pyridin-1-iumyl]thio]-N-(4-bromophenyl)acetamide IUPAC Name: 2-(6-amino-4-benzyl-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-(4-bromophenyl)acetamide Traditional Name: 2-[(6-amino-4-benzyl-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-(4-bromophenyl)acetamide Formula: C22H17BrN5OS+ MolecularWeight: 479.37228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C(=[NH+]C(=C2C#N)SCC(=O)NC3=CC=C(C=C3)Br)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C(=[NH+]C(=C2C#N)SCC(=O)NC3=CC=C(C=C3)Br)N)C#N

InChI

InChI=1S/C22H16BrN5OS/c23-15-6-8-16(9-7-15)27-20(29)13-30-22-19(12-25)17(18(11-24)21(26)28-22)10-14-4-2-1-3-5-14/h1-9H,10,13H2,(H2,26,28)(H,27,29)/p+1