2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-[(1-phenylpyrazol-4-yl)methyl]ethanamide

Systemtic Name: 2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-[(1-phenylpyrazol-4-yl)methyl]ethanamide Openeye Name: 2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide CAS Name: 2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-[(1-phenyl-4-pyrazolyl)methyl]acetamide IUPAC Name: 2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide Traditional Name: 2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=CC=CC=C2OCC(=O)NCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1CSC(S1)C2=CC=CC=C2OCC(=O)NCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O2S2/c25-20(15-26-19-9-5-4-8-18(19)21-27-10-11-28-21)22-12-16-13-23-24(14-16)17-6-2-1-3-7-17/h1-9,13-14,21H,10-12,15H2,(H,22,25)