2-butylsulfanyl-4,6-dimethyl-3-(2-methylphenyl)sulfonyl-pyridine

Systemtic Name: 2-butylsulfanyl-4,6-dimethyl-3-(2-methylphenyl)sulfonyl-pyridine Openeye Name: 2-butylsulfanyl-4,6-dimethyl-3-(o-tolylsulfonyl)pyridine CAS Name: 2-(butylthio)-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine IUPAC Name: 2-butylsulfanyl-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine Traditional Name: 2-(butylthio)-4,6-dimethyl-3-(o-tolylsulfonyl)pyridine Formula: C18H23NO2S2 MolecularWeight: 349.51072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C(=CC(=N1)C)C)S(=O)(=O)C2=CC=CC=C2C

Isomeric SMILES

CCCCSC1=C(C(=CC(=N1)C)C)S(=O)(=O)C2=CC=CC=C2C

InChI

InChI=1S/C18H23NO2S2/c1-5-6-11-22-18-17(14(3)12-15(4)19-18)23(20,21)16-10-8-7-9-13(16)2/h7-10,12H,5-6,11H2,1-4H3