2-phenylsulfanyl-N-[(4-pyrrolidin-1-ylcarbonylphenyl)methyl]pyridine-3-carboxamide

Systemtic Name: 2-phenylsulfanyl-N-[(4-pyrrolidin-1-ylcarbonylphenyl)methyl]pyridine-3-carboxamide Openeye Name: 2-phenylsulfanyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridine-3-carboxamide CAS Name: N-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl]-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: 2-phenylsulfanyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridine-3-carboxamide Traditional Name: 2-(phenylthio)-N-[4-(pyrrolidine-1-carbonyl)benzyl]nicotinamide Formula: C24H23N3O2S MolecularWeight: 417.52332

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)CNC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)CNC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C24H23N3O2S/c28-22(21-9-6-14-25-23(21)30-20-7-2-1-3-8-20)26-17-18-10-12-19(13-11-18)24(29)27-15-4-5-16-27/h1-3,6-14H,4-5,15-17H2,(H,26,28)