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

Systemtic Name: 2-(2-ethylsulfonylethylsulfanyl)-4-phenyl-6-thiophen-2-yl-pyridine-3-carbonitrile Openeye Name: 2-(2-ethylsulfonylethylsulfanyl)-4-phenyl-6-(2-thienyl)pyridine-3-carbonitrile CAS Name: 2-(2-ethylsulfonylethylthio)-4-phenyl-6-thiophen-2-yl-3-pyridinecarbonitrile IUPAC Name: 2-(2-ethylsulfonylethylsulfanyl)-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile Traditional Name: 2-(2-esylethylthio)-4-phenyl-6-(2-thienyl)nicotinonitrile Formula: C20H18N2O2S3 MolecularWeight: 414.56412

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)CCSC1=C(C(=CC(=N1)C2=CC=CS2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCS(=O)(=O)CCSC1=C(C(=CC(=N1)C2=CC=CS2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C20H18N2O2S3/c1-2-27(23,24)12-11-26-20-17(14-21)16(15-7-4-3-5-8-15)13-18(22-20)19-9-6-10-25-19/h3-10,13H,2,11-12H2,1H3