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

Systemtic Name: 2-[3-[(4-chlorophenyl)methylsulfonyl]-2-oxidanyl-propyl]sulfanyl-4-phenyl-6-thiophen-2-yl-pyridine-3-carbonitrile Openeye Name: 2-[3-[(4-chlorophenyl)methylsulfonyl]-2-hydroxy-propyl]sulfanyl-4-phenyl-6-(2-thienyl)pyridine-3-carbonitrile CAS Name: 2-[[3-[(4-chlorophenyl)methylsulfonyl]-2-hydroxypropyl]thio]-4-phenyl-6-thiophen-2-yl-3-pyridinecarbonitrile IUPAC Name: 2-[3-[(4-chlorophenyl)methylsulfonyl]-2-hydroxypropyl]sulfanyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile Traditional Name: 2-[[3-(4-chlorobenzyl)sulfonyl-2-hydroxy-propyl]thio]-4-phenyl-6-(2-thienyl)nicotinonitrile Formula: C26H21ClN2O3S3 MolecularWeight: 541.10454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(CS(=O)(=O)CC3=CC=C(C=C3)Cl)O)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(CS(=O)(=O)CC3=CC=C(C=C3)Cl)O)C4=CC=CS4

InChI

InChI=1S/C26H21ClN2O3S3/c27-20-10-8-18(9-11-20)16-35(31,32)17-21(30)15-34-26-23(14-28)22(19-5-2-1-3-6-19)13-24(29-26)25-7-4-12-33-25/h1-13,21,30H,15-17H2