2-(2,5-dimethoxyphenyl)sulfanyl-N-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide

Systemtic Name: 2-(2,5-dimethoxyphenyl)sulfanyl-N-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide Openeye Name: 2-(2,5-dimethoxyphenyl)sulfanyl-N-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide CAS Name: 2-[(2,5-dimethoxyphenyl)thio]-N-[3-(1-imidazolyl)propyl]-3-pyridinecarboxamide IUPAC Name: 2-(2,5-dimethoxyphenyl)sulfanyl-N-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide Traditional Name: 2-[(2,5-dimethoxyphenyl)thio]-N-(3-imidazol-1-ylpropyl)nicotinamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)SC2=C(C=CC=N2)C(=O)NCCCN3C=CN=C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)SC2=C(C=CC=N2)C(=O)NCCCN3C=CN=C3

InChI

InChI=1S/C20H22N4O3S/c1-26-15-6-7-17(27-2)18(13-15)28-20-16(5-3-8-23-20)19(25)22-9-4-11-24-12-10-21-14-24/h3,5-8,10,12-14H,4,9,11H2,1-2H3,(H,22,25)