2-[(2S)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propyl]sulfanyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-[(2S)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propyl]sulfanyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propyl]sulfanyl-6-(2-thienyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[[(2S)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propyl]thio]-6-thiophen-2-yl-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropyl]sulfanyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propyl]thio]-6-(2-thienyl)-4-(trifluoromethyl)nicotinonitrile Formula: C18H19F3N3OS3+ MolecularWeight: 446.55317

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSCC[NH+]1CC(CSC2=C(C(=CC(=N2)C3=CC=CS3)C(F)(F)F)C#N)O

Isomeric SMILES

C1CSCC[NH+]1C[C@@H](CSC2=C(C(=CC(=N2)C3=CC=CS3)C(F)(F)F)C#N)O

InChI

InChI=1S/C18H18F3N3OS3/c19-18(20,21)14-8-15(16-2-1-5-27-16)23-17(13(14)9-22)28-11-12(25)10-24-3-6-26-7-4-24/h1-2,5,8,12,25H,3-4,6-7,10-11H2/p+1/t12-/m0/s1