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

Systemtic Name: 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-6-methyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-6-methyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methylpyridin-1-ium-3-carbonitrile Traditional Name: 2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-6-methyl-pyridin-1-ium-3-carbonitrile Formula: C15H12BrN2OS+ MolecularWeight: 348.23758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(=C(C=C1)C#N)SCC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC1=[NH+]C(=C(C=C1)C#N)SCC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C15H11BrN2OS/c1-10-2-3-12(8-17)15(18-10)20-9-14(19)11-4-6-13(16)7-5-11/h2-7H,9H2,1H3/p+1