2-methylsulfanyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridine-3-carboxamide

Systemtic Name: 2-methylsulfanyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridine-3-carboxamide Openeye Name: 2-methylsulfanyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridine-3-carboxamide CAS Name: 2-(methylthio)-N-[[4-(1-pyrrolidinyl)phenyl]methyl]-3-pyridinecarboxamide IUPAC Name: 2-methylsulfanyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridine-3-carboxamide Traditional Name: 2-(methylthio)-N-(4-pyrrolidinobenzyl)nicotinamide Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)NCC2=CC=C(C=C2)N3CCCC3

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)NCC2=CC=C(C=C2)N3CCCC3

InChI

InChI=1S/C18H21N3OS/c1-23-18-16(5-4-10-19-18)17(22)20-13-14-6-8-15(9-7-14)21-11-2-3-12-21/h4-10H,2-3,11-13H2,1H3,(H,20,22)