2-[2-oxidanyl-3-(phenylmethyl)sulfonyl-propyl]sulfanyl-4-phenyl-6-thiophen-2-yl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-oxidanyl-3-(phenylmethyl)sulfonyl-propyl]sulfanyl-4-phenyl-6-thiophen-2-yl-pyridine-3-carbonitrile Openeye Name: 2-(3-benzylsulfonyl-2-hydroxy-propyl)sulfanyl-4-phenyl-6-(2-thienyl)pyridine-3-carbonitrile CAS Name: 2-[[2-hydroxy-3-(phenylmethyl)sulfonylpropyl]thio]-4-phenyl-6-thiophen-2-yl-3-pyridinecarbonitrile IUPAC Name: 2-(3-benzylsulfonyl-2-hydroxypropyl)sulfanyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile Traditional Name: 2-[(3-benzylsulfonyl-2-hydroxy-propyl)thio]-4-phenyl-6-(2-thienyl)nicotinonitrile Formula: C26H22N2O3S3 MolecularWeight: 506.65948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)CC(CSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=CC=C4)C#N)O

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)CC(CSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=CC=C4)C#N)O

InChI

InChI=1S/C26H22N2O3S3/c27-15-23-22(20-10-5-2-6-11-20)14-24(25-12-7-13-32-25)28-26(23)33-16-21(29)18-34(30,31)17-19-8-3-1-4-9-19/h1-14,21,29H,16-18H2