S-[2-(3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl] 2,2-dimethylpropanethioate

Systemtic Name: S-[2-(3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl] 2,2-dimethylpropanethioate Openeye Name: S-[2-[3-(4-pyridyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]phenyl] 2,2-dimethylpropanethioate CAS Name: 2,2-dimethylpropanethioic acid S-[2-(3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl] ester IUPAC Name: S-[2-(3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl] 2,2-dimethylpropanethioate Traditional Name: 2,2-dimethylpropanethioic acid S-[2-[3-(4-pyridyl)-6,7-dihydro-5H-pyrrol[1,2-a]imidazol-2-yl]phenyl] ester Formula: C22H23N3OS MolecularWeight: 377.50252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)SC1=CC=CC=C1C2=C(N3CCCC3=N2)C4=CC=NC=C4

Isomeric SMILES

CC(C)(C)C(=O)SC1=CC=CC=C1C2=C(N3CCCC3=N2)C4=CC=NC=C4

InChI

InChI=1S/C22H23N3OS/c1-22(2,3)21(26)27-17-8-5-4-7-16(17)19-20(15-10-12-23-13-11-15)25-14-6-9-18(25)24-19/h4-5,7-8,10-13H,6,9,14H2,1-3H3