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

Systemtic Name: 2-azanyl-6-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(4-phenylmethoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-(4-benzyloxyphenyl)-6-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[[2-(4-bromophenyl)-2-oxoethyl]thio]-4-(4-phenylmethoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-(4-phenylmethoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-(4-benzoxyphenyl)-6-[[2-(4-bromophenyl)-2-keto-ethyl]thio]pyridin-1-ium-3,5-dicarbonitrile Formula: C28H20BrN4O2S+ MolecularWeight: 556.453

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)C4=CC=C(C=C4)Br)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=C(C(=[NH+]C(=C3C#N)SCC(=O)C4=CC=C(C=C4)Br)N)C#N

InChI

InChI=1S/C28H19BrN4O2S/c29-21-10-6-19(7-11-21)25(34)17-36-28-24(15-31)26(23(14-30)27(32)33-28)20-8-12-22(13-9-20)35-16-18-4-2-1-3-5-18/h1-13H,16-17H2,(H2,32,33)/p+1