2-(3,4-dimethylphenyl)sulfanyl-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]pyridine-3-carboxamide

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]pyridine-3-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide CAS Name: 2-[(3,4-dimethylphenyl)thio]-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-3-pyridinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide Traditional Name: 2-[(3,4-dimethylphenyl)thio]-N-[3-(2-ketopyrrolidino)propyl]nicotinamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NCCCN3CCCC3=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NCCCN3CCCC3=O)C

InChI

InChI=1S/C21H25N3O2S/c1-15-8-9-17(14-16(15)2)27-21-18(6-3-10-23-21)20(26)22-11-5-13-24-12-4-7-19(24)25/h3,6,8-10,14H,4-5,7,11-13H2,1-2H3,(H,22,26)