3-[3-(2-imidazo[1,5-a]pyridin-3-ylsulfanylethanoyl)indol-1-yl]propanenitrile

Systemtic Name: 3-[3-(2-imidazo[1,5-a]pyridin-3-ylsulfanylethanoyl)indol-1-yl]propanenitrile Openeye Name: 3-[3-(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)indol-1-yl]propanenitrile CAS Name: 3-[3-[2-(3-imidazo[1,5-a]pyridinylthio)-1-oxoethyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)indol-1-yl]propanenitrile Traditional Name: 3-[3-[2-(imidazo[1,5-a]pyridin-3-ylthio)acetyl]indol-1-yl]propionitrile Formula: C20H16N4OS MolecularWeight: 360.43224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CCC#N)C(=O)CSC3=NC=C4N3C=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CCC#N)C(=O)CSC3=NC=C4N3C=CC=C4

InChI

InChI=1S/C20H16N4OS/c21-9-5-10-23-13-17(16-7-1-2-8-18(16)23)19(25)14-26-20-22-12-15-6-3-4-11-24(15)20/h1-4,6-8,11-13H,5,10,14H2