N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]-2-(phenylmethylsulfanyl)propanamide

Systemtic Name: N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]-2-(phenylmethylsulfanyl)propanamide Openeye Name: N-[1-(2-benzyloxyethyl)pyrazol-4-yl]-2-benzylsulfanyl-propanamide CAS Name: N-[1-(2-phenylmethoxyethyl)-4-pyrazolyl]-2-(phenylmethylthio)propanamide IUPAC Name: 2-benzylsulfanyl-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]propanamide Traditional Name: N-[1-(2-benzoxyethyl)pyrazol-4-yl]-2-(benzylthio)propionamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CN(N=C1)CCOCC2=CC=CC=C2)SCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CN(N=C1)CCOCC2=CC=CC=C2)SCC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O2S/c1-18(28-17-20-10-6-3-7-11-20)22(26)24-21-14-23-25(15-21)12-13-27-16-19-8-4-2-5-9-19/h2-11,14-15,18H,12-13,16-17H2,1H3,(H,24,26)