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

Systemtic Name: 2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-(dimethoxymethyl)pyridine-3-carbonitrile Openeye Name: 2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-6-(dimethoxymethyl)pyridine-3-carbonitrile CAS Name: 2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-6-(dimethoxymethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-(dimethoxymethyl)pyridine-3-carbonitrile Traditional Name: 2-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-6-(dimethoxymethyl)nicotinonitrile Formula: C17H15ClN2O3S MolecularWeight: 362.8306

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1=NC(=C(C=C1)C#N)SCC(=O)C2=CC=C(C=C2)Cl)OC

Isomeric SMILES

COC(C1=NC(=C(C=C1)C#N)SCC(=O)C2=CC=C(C=C2)Cl)OC

InChI

InChI=1S/C17H15ClN2O3S/c1-22-17(23-2)14-8-5-12(9-19)16(20-14)24-10-15(21)11-3-6-13(18)7-4-11/h3-8,17H,10H2,1-2H3