6-phenyl-2-piperidin-1-ylsulfanyl-4-pyridin-3-yl-pyridine-3-carbonitrile

Systemtic Name: 6-phenyl-2-piperidin-1-ylsulfanyl-4-pyridin-3-yl-pyridine-3-carbonitrile Openeye Name: 6-phenyl-2-(1-piperidylsulfanyl)-4-(3-pyridyl)pyridine-3-carbonitrile CAS Name: 6-phenyl-2-(1-piperidinylthio)-4-(3-pyridinyl)-3-pyridinecarbonitrile IUPAC Name: 6-phenyl-2-piperidin-1-ylsulfanyl-4-pyridin-3-ylpyridine-3-carbonitrile Traditional Name: 6-phenyl-2-(piperidinothio)-4-(3-pyridyl)nicotinonitrile Formula: C22H20N4S MolecularWeight: 372.486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)SC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CN=CC=C4)C#N

Isomeric SMILES

C1CCN(CC1)SC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CN=CC=C4)C#N

InChI

InChI=1S/C22H20N4S/c23-15-20-19(18-10-7-11-24-16-18)14-21(17-8-3-1-4-9-17)25-22(20)27-26-12-5-2-6-13-26/h1,3-4,7-11,14,16H,2,5-6,12-13H2