2-(2-morpholin-4-ium-4-ylethylsulfanyl)-4-phenyl-6-thiophen-2-yl-pyridine-3-carbonitrile

Systemtic Name: 2-(2-morpholin-4-ium-4-ylethylsulfanyl)-4-phenyl-6-thiophen-2-yl-pyridine-3-carbonitrile Openeye Name: 2-(2-morpholin-4-ium-4-ylethylsulfanyl)-4-phenyl-6-(2-thienyl)pyridine-3-carbonitrile CAS Name: 2-[2-(4-morpholin-4-iumyl)ethylthio]-4-phenyl-6-thiophen-2-yl-3-pyridinecarbonitrile IUPAC Name: 2-(2-morpholin-4-ium-4-ylethylsulfanyl)-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile Traditional Name: 2-(2-morpholin-4-ium-4-ylethylthio)-4-phenyl-6-(2-thienyl)nicotinonitrile Formula: C22H22N3OS2+ MolecularWeight: 408.55958

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=CC=C4)C#N

Isomeric SMILES

C1COCC[NH+]1CCSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C22H21N3OS2/c23-16-19-18(17-5-2-1-3-6-17)15-20(21-7-4-13-27-21)24-22(19)28-14-10-25-8-11-26-12-9-25/h1-7,13,15H,8-12,14H2/p+1