N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-2-methylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[2-(4-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-[2-(4-methoxyphenyl)-2-pyrrolidino-ethyl]-2-(methylthio)nicotinamide Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=C(N=CC=C2)SC)N3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C(CNC(=O)C2=C(N=CC=C2)SC)N3CCCC3

InChI

InChI=1S/C20H25N3O2S/c1-25-16-9-7-15(8-10-16)18(23-12-3-4-13-23)14-22-19(24)17-6-5-11-21-20(17)26-2/h5-11,18H,3-4,12-14H2,1-2H3,(H,22,24)