2-[(4-bromophenyl)methylsulfanyl]-4-(2-chlorophenyl)-6-(4-chlorophenyl)pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-4-(2-chlorophenyl)-6-(4-chlorophenyl)pyridin-1-ium-3-carbonitrile Openeye Name: 2-[(4-bromophenyl)methylsulfanyl]-4-(2-chlorophenyl)-6-(4-chlorophenyl)pyridin-1-ium-3-carbonitrile CAS Name: 2-[(4-bromophenyl)methylthio]-4-(2-chlorophenyl)-6-(4-chlorophenyl)-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[(4-bromophenyl)methylsulfanyl]-4-(2-chlorophenyl)-6-(4-chlorophenyl)pyridin-1-ium-3-carbonitrile Traditional Name: 2-[(4-bromobenzyl)thio]-4-(2-chlorophenyl)-6-(4-chlorophenyl)pyridin-1-ium-3-carbonitrile Formula: C25H16BrCl2N2S+ MolecularWeight: 527.28294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC(=[NH+]C(=C2C#N)SCC3=CC=C(C=C3)Br)C4=CC=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC(=[NH+]C(=C2C#N)SCC3=CC=C(C=C3)Br)C4=CC=C(C=C4)Cl)Cl

InChI

InChI=1S/C25H15BrCl2N2S/c26-18-9-5-16(6-10-18)15-31-25-22(14-29)21(20-3-1-2-4-23(20)28)13-24(30-25)17-7-11-19(27)12-8-17/h1-13H,15H2/p+1