N-(2-cyanoethyl)-2-(2,5-dimethoxyphenyl)sulfanyl-N-methyl-pyridine-3-carboxamide

Systemtic Name: N-(2-cyanoethyl)-2-(2,5-dimethoxyphenyl)sulfanyl-N-methyl-pyridine-3-carboxamide Openeye Name: N-(2-cyanoethyl)-2-(2,5-dimethoxyphenyl)sulfanyl-N-methyl-pyridine-3-carboxamide CAS Name: N-(2-cyanoethyl)-2-[(2,5-dimethoxyphenyl)thio]-N-methyl-3-pyridinecarboxamide IUPAC Name: N-(2-cyanoethyl)-2-(2,5-dimethoxyphenyl)sulfanyl-N-methylpyridine-3-carboxamide Traditional Name: N-(2-cyanoethyl)-2-[(2,5-dimethoxyphenyl)thio]-N-methyl-nicotinamide Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)C1=C(N=CC=C1)SC2=C(C=CC(=C2)OC)OC

Isomeric SMILES

CN(CCC#N)C(=O)C1=C(N=CC=C1)SC2=C(C=CC(=C2)OC)OC

InChI

InChI=1S/C18H19N3O3S/c1-21(11-5-9-19)18(22)14-6-4-10-20-17(14)25-16-12-13(23-2)7-8-15(16)24-3/h4,6-8,10,12H,5,11H2,1-3H3