3-(2-methylpropyl)-4-phenyl-2-(pyridin-3-ylmethylsulfanyl)benzenesulfinate

Systemtic Name: 3-(2-methylpropyl)-4-phenyl-2-(pyridin-3-ylmethylsulfanyl)benzenesulfinate Openeye Name: 3-isobutyl-4-phenyl-2-(3-pyridylmethylsulfanyl)benzenesulfinate CAS Name: 3-(2-methylpropyl)-4-phenyl-2-(3-pyridinylmethylthio)benzenesulfinate IUPAC Name: 3-(2-methylpropyl)-4-phenyl-2-(pyridin-3-ylmethylsulfanyl)benzenesulfinate Traditional Name: 3-isobutyl-4-phenyl-2-(3-pyridylmethylthio)benzenesulfinate Formula: C22H22NO2S2- MolecularWeight: 396.54558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C=CC(=C1SCC2=CN=CC=C2)S(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC(C)CC1=C(C=CC(=C1SCC2=CN=CC=C2)S(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C22H23NO2S2/c1-16(2)13-20-19(18-8-4-3-5-9-18)10-11-21(27(24)25)22(20)26-15-17-7-6-12-23-14-17/h3-12,14,16H,13,15H2,1-2H3,(H,24,25)/p-1