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

Systemtic Name: 2-(octylsulfinylmethylsulfanyl)-4-phenyl-6-thiophen-2-yl-pyridine-3-carbonitrile Openeye Name: 2-(octylsulfinylmethylsulfanyl)-4-phenyl-6-(2-thienyl)pyridine-3-carbonitrile CAS Name: 2-(octylsulfinylmethylthio)-4-phenyl-6-thiophen-2-yl-3-pyridinecarbonitrile IUPAC Name: 2-(octylsulfinylmethylsulfanyl)-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile Traditional Name: 2-(octylsulfinylmethylthio)-4-phenyl-6-(2-thienyl)nicotinonitrile Formula: C25H28N2OS3 MolecularWeight: 468.69762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2OS3/c1-2-3-4-5-6-10-16-31(28)19-30-25-22(18-26)21(20-12-8-7-9-13-20)17-23(27-25)24-14-11-15-29-24/h7-9,11-15,17H,2-6,10,16,19H2,1H3