2-(2,5-dimethylphenyl)sulfanyl-N-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)pyridine-3-carboxamide

Systemtic Name: 2-(2,5-dimethylphenyl)sulfanyl-N-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)pyridine-3-carboxamide Openeye Name: 2-(2,5-dimethylphenyl)sulfanyl-N-(3-oxo-3-pyrrolidin-1-yl-propyl)pyridine-3-carboxamide CAS Name: 2-[(2,5-dimethylphenyl)thio]-N-[3-oxo-3-(1-pyrrolidinyl)propyl]-3-pyridinecarboxamide IUPAC Name: 2-(2,5-dimethylphenyl)sulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide Traditional Name: 2-[(2,5-dimethylphenyl)thio]-N-(3-keto-3-pyrrolidino-propyl)nicotinamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=C(C=CC=N2)C(=O)NCCC(=O)N3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=C(C=CC=N2)C(=O)NCCC(=O)N3CCCC3

InChI

InChI=1S/C21H25N3O2S/c1-15-7-8-16(2)18(14-15)27-21-17(6-5-10-23-21)20(26)22-11-9-19(25)24-12-3-4-13-24/h5-8,10,14H,3-4,9,11-13H2,1-2H3,(H,22,26)