2-[2-(3,4-dichlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-4,6-bis(4-methoxyphenyl)pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-[2-(3,4-dichlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-4,6-bis(4-methoxyphenyl)pyridin-1-ium-3-carbonitrile Openeye Name: 2-[2-(3,4-dichlorophenyl)-2-oxo-ethyl]sulfanyl-4,6-bis(4-methoxyphenyl)pyridin-1-ium-3-carbonitrile CAS Name: 2-[[2-(3,4-dichlorophenyl)-2-oxoethyl]thio]-4,6-bis(4-methoxyphenyl)-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-4,6-bis(4-methoxyphenyl)pyridin-1-ium-3-carbonitrile Traditional Name: 2-[[2-(3,4-dichlorophenyl)-2-keto-ethyl]thio]-4,6-bis(4-methoxyphenyl)pyridin-1-ium-3-carbonitrile Formula: C28H21Cl2N2O3S+ MolecularWeight: 536.44894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=[NH+]C(=C2C#N)SCC(=O)C3=CC(=C(C=C3)Cl)Cl)C4=CC=C(C=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=[NH+]C(=C2C#N)SCC(=O)C3=CC(=C(C=C3)Cl)Cl)C4=CC=C(C=C4)OC

InChI

InChI=1S/C28H20Cl2N2O3S/c1-34-20-8-3-17(4-9-20)22-14-26(18-5-10-21(35-2)11-6-18)32-28(23(22)15-31)36-16-27(33)19-7-12-24(29)25(30)13-19/h3-14H,16H2,1-2H3/p+1