2-(2,5-dimethoxyphenyl)sulfanyl-N-(2-pyrrol-1-ylethyl)pyridine-3-carboxamide

Systemtic Name: 2-(2,5-dimethoxyphenyl)sulfanyl-N-(2-pyrrol-1-ylethyl)pyridine-3-carboxamide Openeye Name: 2-(2,5-dimethoxyphenyl)sulfanyl-N-(2-pyrrol-1-ylethyl)pyridine-3-carboxamide CAS Name: 2-[(2,5-dimethoxyphenyl)thio]-N-[2-(1-pyrrolyl)ethyl]-3-pyridinecarboxamide IUPAC Name: 2-(2,5-dimethoxyphenyl)sulfanyl-N-(2-pyrrol-1-ylethyl)pyridine-3-carboxamide Traditional Name: 2-[(2,5-dimethoxyphenyl)thio]-N-(2-pyrrol-1-ylethyl)nicotinamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)SC2=C(C=CC=N2)C(=O)NCCN3C=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)SC2=C(C=CC=N2)C(=O)NCCN3C=CC=C3

InChI

InChI=1S/C20H21N3O3S/c1-25-15-7-8-17(26-2)18(14-15)27-20-16(6-5-9-22-20)19(24)21-10-13-23-11-3-4-12-23/h3-9,11-12,14H,10,13H2,1-2H3,(H,21,24)