2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-4,6-dimethyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-4,6-dimethyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4,6-dimethylpyridin-1-ium-3-carbonitrile Traditional Name: 2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-4,6-dimethyl-pyridin-1-ium-3-carbonitrile Formula: C16H14BrN2OS+ MolecularWeight: 362.26416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=C1C#N)SCC(=O)C2=CC=C(C=C2)Br)C

Isomeric SMILES

CC1=CC(=[NH+]C(=C1C#N)SCC(=O)C2=CC=C(C=C2)Br)C

InChI

InChI=1S/C16H13BrN2OS/c1-10-7-11(2)19-16(14(10)8-18)21-9-15(20)12-3-5-13(17)6-4-12/h3-7H,9H2,1-2H3/p+1