2-[2-(3-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-(3-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(3-chlorophenyl)-2-oxo-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[[2-(3-chlorophenyl)-2-oxoethyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[[2-(3-chlorophenyl)-2-keto-ethyl]thio]-4,6-dimethyl-nicotinonitrile Formula: C16H13ClN2OS MolecularWeight: 316.80522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)C2=CC(=CC=C2)Cl)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)C2=CC(=CC=C2)Cl)C

InChI

InChI=1S/C16H13ClN2OS/c1-10-6-11(2)19-16(14(10)8-18)21-9-15(20)12-4-3-5-13(17)7-12/h3-7H,9H2,1-2H3