2-[6-azanyl-3,5-dicyano-4-(4-phenylmethoxyphenyl)pyridin-1-ium-2-yl]sulfanylethanamide

Systemtic Name: 2-[6-azanyl-3,5-dicyano-4-(4-phenylmethoxyphenyl)pyridin-1-ium-2-yl]sulfanylethanamide Openeye Name: 2-[6-amino-4-(4-benzyloxyphenyl)-3,5-dicyano-pyridin-1-ium-2-yl]sulfanylacetamide CAS Name: 2-[[6-amino-3,5-dicyano-4-(4-phenylmethoxyphenyl)-2-pyridin-1-iumyl]thio]acetamide IUPAC Name: 2-[6-amino-3,5-dicyano-4-(4-phenylmethoxyphenyl)pyridin-1-ium-2-yl]sulfanylacetamide Traditional Name: 2-[[6-amino-4-(4-benzoxyphenyl)-3,5-dicyano-pyridin-1-ium-2-yl]thio]acetamide Formula: C22H18N5O2S+ MolecularWeight: 416.47562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=C(C(=[NH+]C(=C3C#N)SCC(=O)N)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=C(C(=[NH+]C(=C3C#N)SCC(=O)N)N)C#N

InChI

InChI=1S/C22H17N5O2S/c23-10-17-20(18(11-24)22(27-21(17)26)30-13-19(25)28)15-6-8-16(9-7-15)29-12-14-4-2-1-3-5-14/h1-9H,12-13H2,(H2,25,28)(H2,26,27)/p+1