2-(1H-imidazol-2-ylmethylsulfanyl)-4-phenyl-6-pyrrolidin-1-yl-pyridine-3,5-dicarbonitrile

Systemtic Name: 2-(1H-imidazol-2-ylmethylsulfanyl)-4-phenyl-6-pyrrolidin-1-yl-pyridine-3,5-dicarbonitrile Openeye Name: 2-(1H-imidazol-2-ylmethylsulfanyl)-4-phenyl-6-pyrrolidin-1-yl-pyridine-3,5-dicarbonitrile CAS Name: 2-(1H-imidazol-2-ylmethylthio)-4-phenyl-6-(1-pyrrolidinyl)pyridine-3,5-dicarbonitrile IUPAC Name: 2-(1H-imidazol-2-ylmethylsulfanyl)-4-phenyl-6-pyrrolidin-1-ylpyridine-3,5-dicarbonitrile Traditional Name: 2-(1H-imidazol-2-ylmethylthio)-4-phenyl-6-pyrrolidino-dinicotinonitrile Formula: C21H18N6S MolecularWeight: 386.47282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=C(C(=C2C#N)C3=CC=CC=C3)C#N)SCC4=NC=CN4

Isomeric SMILES

C1CCN(C1)C2=NC(=C(C(=C2C#N)C3=CC=CC=C3)C#N)SCC4=NC=CN4

InChI

InChI=1S/C21H18N6S/c22-12-16-19(15-6-2-1-3-7-15)17(13-23)21(28-14-18-24-8-9-25-18)26-20(16)27-10-4-5-11-27/h1-3,6-9H,4-5,10-11,14H2,(H,24,25)