4-phenyl-2-[2-(phenylmethyl)sulfonylethylsulfanyl]-6-thiophen-2-yl-pyridine-3-carbonitrile

Systemtic Name: 4-phenyl-2-[2-(phenylmethyl)sulfonylethylsulfanyl]-6-thiophen-2-yl-pyridine-3-carbonitrile Openeye Name: 2-(2-benzylsulfonylethylsulfanyl)-4-phenyl-6-(2-thienyl)pyridine-3-carbonitrile CAS Name: 4-phenyl-2-[2-(phenylmethyl)sulfonylethylthio]-6-thiophen-2-yl-3-pyridinecarbonitrile IUPAC Name: 2-(2-benzylsulfonylethylsulfanyl)-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile Traditional Name: 2-(2-benzylsulfonylethylthio)-4-phenyl-6-(2-thienyl)nicotinonitrile Formula: C25H20N2O2S3 MolecularWeight: 476.6335

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)CCSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=CC=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)CCSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C25H20N2O2S3/c26-17-22-21(20-10-5-2-6-11-20)16-23(24-12-7-13-30-24)27-25(22)31-14-15-32(28,29)18-19-8-3-1-4-9-19/h1-13,16H,14-15,18H2