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

Systemtic Name: 2-[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-[2-(2,4-dimethylphenyl)-2-oxo-ethyl]sulfanyl-4,6-dimethyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]thio]-4,6-dimethyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl-4,6-dimethylpyridin-1-ium-3-carbonitrile Traditional Name: 2-[[2-(2,4-dimethylphenyl)-2-keto-ethyl]thio]-4,6-dimethyl-pyridin-1-ium-3-carbonitrile Formula: C18H19N2OS+ MolecularWeight: 311.42126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)CSC2=C(C(=CC(=[NH+]2)C)C)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)CSC2=C(C(=CC(=[NH+]2)C)C)C#N)C

InChI

InChI=1S/C18H18N2OS/c1-11-5-6-15(12(2)7-11)17(21)10-22-18-16(9-19)13(3)8-14(4)20-18/h5-8H,10H2,1-4H3/p+1