2-(3-butylsulfonyl-2-oxidanyl-propyl)sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-(3-butylsulfonyl-2-oxidanyl-propyl)sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-(3-butylsulfonyl-2-hydroxy-propyl)sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[(3-butylsulfonyl-2-hydroxypropyl)thio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-(3-butylsulfonyl-2-hydroxypropyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[(3-butylsulfonyl-2-hydroxy-propyl)thio]-4,6-dimethyl-nicotinonitrile Formula: C15H22N2O3S2 MolecularWeight: 342.47678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)CC(CSC1=C(C(=CC(=N1)C)C)C#N)O

Isomeric SMILES

CCCCS(=O)(=O)CC(CSC1=C(C(=CC(=N1)C)C)C#N)O

InChI

InChI=1S/C15H22N2O3S2/c1-4-5-6-22(19,20)10-13(18)9-21-15-14(8-16)11(2)7-12(3)17-15/h7,13,18H,4-6,9-10H2,1-3H3