2-(butylsulfinylmethylsulfanyl)-4-phenyl-6-thiophen-2-yl-pyridine-3-carbonitrile

Systemtic Name: 2-(butylsulfinylmethylsulfanyl)-4-phenyl-6-thiophen-2-yl-pyridine-3-carbonitrile Openeye Name: 2-(butylsulfinylmethylsulfanyl)-4-phenyl-6-(2-thienyl)pyridine-3-carbonitrile CAS Name: 2-(butylsulfinylmethylthio)-4-phenyl-6-thiophen-2-yl-3-pyridinecarbonitrile IUPAC Name: 2-(butylsulfinylmethylsulfanyl)-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile Traditional Name: 2-(butylsulfinylmethylthio)-4-phenyl-6-(2-thienyl)nicotinonitrile Formula: C21H20N2OS3 MolecularWeight: 412.5913

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)CSC1=C(C(=CC(=N1)C2=CC=CS2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCCCS(=O)CSC1=C(C(=CC(=N1)C2=CC=CS2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C21H20N2OS3/c1-2-3-12-27(24)15-26-21-18(14-22)17(16-8-5-4-6-9-16)13-19(23-21)20-10-7-11-25-20/h4-11,13H,2-3,12,15H2,1H3