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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)SC1=CC=C(C=C1)C2=C(N3CCCC3=N2)C4=CC=NC=C4

Isomeric SMILES

CC(C)(C)C(=O)SC1=CC=C(C=C1)C2=C(N3CCCC3=N2)C4=CC=NC=C4

InChI

InChI=1S/C22H23N3OS/c1-22(2,3)21(26)27-17-8-6-15(7-9-17)19-20(16-10-12-23-13-11-16)25-14-4-5-18(25)24-19/h6-13H,4-5,14H2,1-3H3