2-[3-(4-tert-butylphenyl)sulfonyl-2-oxidanyl-propyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[3-(4-tert-butylphenyl)sulfonyl-2-oxidanyl-propyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[3-(4-tert-butylphenyl)sulfonyl-2-hydroxy-propyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[[3-(4-tert-butylphenyl)sulfonyl-2-hydroxypropyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[3-(4-tert-butylphenyl)sulfonyl-2-hydroxypropyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[[3-(4-tert-butylphenyl)sulfonyl-2-hydroxy-propyl]thio]-4,6-dimethyl-nicotinonitrile Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(CS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)O)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(CS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)O)C

InChI

InChI=1S/C21H26N2O3S2/c1-14-10-15(2)23-20(19(14)11-22)27-12-17(24)13-28(25,26)18-8-6-16(7-9-18)21(3,4)5/h6-10,17,24H,12-13H2,1-5H3