1-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-[(2-pyrrolidin-1-ylpyridin-4-yl)methyl]urea

Systemtic Name: 1-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-[(2-pyrrolidin-1-ylpyridin-4-yl)methyl]urea Openeye Name: 1-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-[(2-pyrrolidin-1-yl-4-pyridyl)methyl]urea CAS Name: 1-[2-[(2-cyanophenyl)methylthio]ethyl]-3-[[2-(1-pyrrolidinyl)-4-pyridinyl]methyl]urea IUPAC Name: 1-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-[(2-pyrrolidin-1-ylpyridin-4-yl)methyl]urea Traditional Name: 1-[2-[(2-cyanobenzyl)thio]ethyl]-3-[(2-pyrrolidino-4-pyridyl)methyl]urea Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=CC(=C2)CNC(=O)NCCSCC3=CC=CC=C3C#N

Isomeric SMILES

C1CCN(C1)C2=NC=CC(=C2)CNC(=O)NCCSCC3=CC=CC=C3C#N

InChI

InChI=1S/C21H25N5OS/c22-14-18-5-1-2-6-19(18)16-28-12-9-24-21(27)25-15-17-7-8-23-20(13-17)26-10-3-4-11-26/h1-2,5-8,13H,3-4,9-12,15-16H2,(H2,24,25,27)