5-(phenylmethylsulfanyl)-2-(1-pyridin-4-ylpyrrolidin-3-yl)oxy-pyridine

Systemtic Name: 5-(phenylmethylsulfanyl)-2-(1-pyridin-4-ylpyrrolidin-3-yl)oxy-pyridine Openeye Name: 5-benzylsulfanyl-2-[1-(4-pyridyl)pyrrolidin-3-yl]oxy-pyridine CAS Name: 5-(phenylmethylthio)-2-[(1-pyridin-4-yl-3-pyrrolidinyl)oxy]pyridine IUPAC Name: 5-benzylsulfanyl-2-(1-pyridin-4-ylpyrrolidin-3-yl)oxypyridine Traditional Name: 5-(benzylthio)-2-[1-(4-pyridyl)pyrrolidin-3-yl]oxy-pyridine Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1OC2=NC=C(C=C2)SCC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

C1CN(CC1OC2=NC=C(C=C2)SCC3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C21H21N3OS/c1-2-4-17(5-3-1)16-26-20-6-7-21(23-14-20)25-19-10-13-24(15-19)18-8-11-22-12-9-18/h1-9,11-12,14,19H,10,13,15-16H2