1-(1-phenylethenyl)pyridin-1-ium-2-thiol; 1-(phenylmethyl)pyridin-1-ium-2-thiol; dichloride

Systemtic Name: 1-(1-phenylethenyl)pyridin-1-ium-2-thiol; 1-(phenylmethyl)pyridin-1-ium-2-thiol; dichloride Openeye Name: 1-benzylpyridin-1-ium-2-thiol; 1-(1-phenylvinyl)pyridin-1-ium-2-thiol; dichloride CAS Name: 1-(1-phenylethenyl)-2-pyridin-1-iumthiol; 1-(phenylmethyl)-2-pyridin-1-iumthiol; dichloride IUPAC Name: 1-benzylpyridin-1-ium-2-thiol; 1-(1-phenylethenyl)pyridin-1-ium-2-thiol; dichloride Traditional Name: 1-benzylpyridin-1-ium-2-thiol; 1-(1-phenylvinyl)pyridin-1-ium-2-thiol; dichloride Formula: C25H24Cl2N2S2 MolecularWeight: 487.50746

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=CC=CC=C1)[N+]2=CC=CC=C2S.C1=CC=C(C=C1)C[N+]2=CC=CC=C2S.[Cl-].[Cl-]

Isomeric SMILES

C=C(C1=CC=CC=C1)[N+]2=CC=CC=C2S.C1=CC=C(C=C1)C[N+]2=CC=CC=C2S.[Cl-].[Cl-]

InChI

InChI=1S/C13H11NS.C12H11NS.2ClH/c1-11(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15;14-12-8-4-5-9-13(12)10-11-6-2-1-3-7-11;;/h2-10H,1H2;1-9H,10H2;2*1H